Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T97071 | Target Info | |||
| Target Name | Glutamate carboxypeptidase II (GCPII) | ||||
| Synonyms | Pteroylpoly-gamma-glutamate carboxypeptidase; Prostate-specific membrane antigen; PSMA; PSM; NAALADase I; NAALAD1; N-acetylated-alpha-linked acidic dipeptidase I; Membrane glutamate carboxypeptidase; MGCP; Glutamate carboxypeptidase 2; GIG27; Folylpoly-gamma-glutamate carboxypeptidase; Folate hydrolase 1; FOLH; FGCP; Cell growth-inhibiting gene 27 protein | ||||
| Target Type | Successful Target | ||||
| Gene Name | FOLH1 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: L-aspartic acid | Ligand Info | |||||
| Structure Description | A high resolution structure of human glutamate carboxypeptidase II (GCPII) His475Tyr variant in complex with glutamic acid | PDB:4MCS | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [1] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 YNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNNKFS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFSNPI659 VLRMMNDQLM 669 FLERAFIDPL679 GLPDRPFYRH689 VIYAPSSHNK699 YAGESFPGIY709 DALFDIESKV 719 DPSKAWGEVK729 RQIYVAAFTV739 QAAAETLSEV749 A
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| Ligand Name: L-methionine | Ligand Info | |||||
| Structure Description | membrane-bound glutamate carboxypeptidase II (GCPII) with bound methionine | PDB:2CIJ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
NMKAFLDELK
66 AENIKKFLYN76 FTQIPHLAGT86 EQNFQLAKQI96 QSQWKEFGLD106 SVELAHYDVL 116 LSYPNKTHPN126 YISIINEDGN136 EIFNTSLFEP146 PPPGYENVSD156 IVPPFSAFSP 166 QGMPEGDLVY176 VNYARTEDFF186 KLERDMKINC196 SGKIVIARYG206 KVFRGNKVKN 216 AQLAGAKGVI226 LYSDPADYFA236 PGVKSYPDGW246 NLPGGGVQRG256 NILNLNGAGD 266 PLTPGYPANE276 YAYRRGIAEA286 VGLPSIPVHP296 IGYYDAQKLL306 EKMGGSAPPD 316 SSWRGSLKVP326 YNVGPGFTFS338 TQKVKMHIHS348 TNEVTRIYNV358 IGTLRGAVEP 368 DRYVILGGHR378 DSWVFGGIDP388 QSGAAVVHEI398 VRSFGTLKKE408 GWRPRRTILF 418 ASWDAEEFGL428 LGSTEWAEEN438 SRLLQERGVA448 YINADSSIEG458 NYTLRVDCTP 468 LMYSLVHNLT478 KELKSPDEGF488 EGKSLYESWT498 KKSPSPEFSG508 MPRISKLGSG 518 NDFEVFFQRL528 GIASGRARYT538 KNFSGYPLYH553 SVYETYELVE563 KFYDPMFKYH 573 LTVAQVRGGM583 VFELANSIVL593 PFDCRDYAVV603 LRKYADKIYS613 ISMKHPQEMK 623 TYSVSFDSLF633 SAVKNFTEIA643 SKFSERLQDF653 DKSNPIVLRM663 MNDQLMFLER 673 AFIDPLGLPD683 RPFYRHVIYA693 PSSHNKYAGE703 SFPGIYDALF713 DIESKVDPSK 723 AWGEVKRQIY733 VAAFTVQAAA743 ETLSEVA
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| Ligand Name: N-(4-{[(2-Amino-4-Oxo-3,4-Dihydropteridin-6-Yl)methyl]amino}benzoyl)-L-Gamma-Glutamyl-L-Gamma-Glutamyl-L-Gamma-Glutamyl-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyltri-gamma-L-glutamic acid (pteroyltetra-gamma-L-glutamic acid) | PDB:4MCR | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [1] |
| PDB Sequence |
HNMKAFLDEL
65 KAENIKKFLY75 NFTQIPHLAG85 TEQNFQLAKQ95 IQSQWKEFGL105 DSVELAHYDV 115 LLSYPNKTHP125 NYISIINEDG135 NEIFNTSLFE145 PPPPGYENVS155 DIVPPFSAFS 165 PQGMPEGDLV175 YVNYARTEDF185 FKLERDMKIN195 CSGKIVIARY205 GKVFRGNKVK 215 NAQLAGAKGV225 ILYSDPADYF235 APGVKSYPDG245 WNLPGGGVQR255 GNILNLNGAG 265 DPLTPGYPAN275 EYAYRRGIAE285 AVGLPSIPVH295 PIGYYDAQKL305 LEKMGGSAPP 315 DSSWRGSLKV325 PYNVGPGFTG335 NFSTQKVKMH345 IHSTNEVTRI355 YNVIGTLRGA 365 VEPDRYVILG375 GHRDSWVFGG385 IDPQSGAAVV395 HEIVRSFGTL405 KKEGWRPRRT 415 ILFASWDAAE425 FGLLGSTEWA435 EENSRLLQER445 GVAYINADSS455 IEGNYTLRVD 465 CTPLMYSLVH475 NLTKELKSPD485 EGFEGKSLYE495 SWTKKSPSPE505 FSGMPRISKL 515 GSGNDFEVFF525 QRLGIASGRA535 RYTKNWETNK545 FSGYPLYHSV555 YETYELVEKF 565 YDPMFKYHLT575 VAQVRGGMVF585 ELANSIVLPF595 DCRDYAVVLR605 KYADKIYSIS 615 MKHPQEMKTY625 SVSFDSLFSA635 VKNFTEIASK645 FSERLQDFSN657 PIVLRMMNDQ 667 LMFLERAFID677 PLGLPDRPFY687 RHVIYAPSSH697 NKYAGESFPG707 IYDALFDIES 717 KVDPSKAWGE727 VKRQIYVAAF737 TVQAAAETLS747 EVA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29D or .29D2 or .29D3 or :329D;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:465 or .A:500 or .A:501 or .A:511 or .A:513 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:541 or .A:542 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.883
ARG210
2.705
GLY256
4.410
ASN257
2.924
TRP381
4.920
ASP387
3.339
ALA424
3.666
GLU425
3.296
PHE426
4.844
GLY427
3.309
LEU428
3.707
ASP453
4.224
GLU457
4.554
ARG463
3.625
ASP465
4.551
LYS500
4.818
SER501
4.041
ARG511
3.306
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| Ligand Name: N-(4-{[(2-Amino-4-Oxo-3,4-Dihydropteridin-6-Yl)methyl]amino}benzoyl)-L-Gamma-Glutamyl-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyl-gamma-L-glutamic acid (pteroyldi-gamma-L-glutamic acid) | PDB:4MCP | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [1] |
| PDB Sequence |
HNMKAFLDEL
65 KAENIKKFLY75 NFTQIPHLAG85 TEQNFQLAKQ95 IQSQWKEFGL105 DSVELAHYDV 115 LLSYPNKTHP125 NYISIINEDG135 NEIFNTSLFE145 PPPPGYENVS155 DIVPPFSAFS 165 PQGMPEGDLV175 YVNYARTEDF185 FKLERDMKIN195 CSGKIVIARY205 GKVFRGNKVK 215 NAQLAGAKGV225 ILYSDPADYF235 APGVKSYPDG245 WNLPGGGVQR255 GNILNLNGAG 265 DPLTPGYPAN275 EYAYRRGIAE285 AVGLPSIPVH295 PIGYYDAQKL305 LEKMGGSAPP 315 DSSWRGSLKV325 PYNVGPGFTG335 NFSTQKVKMH345 IHSTNEVTRI355 YNVIGTLRGA 365 VEPDRYVILG375 GHRDSWVFGG385 IDPQSGAAVV395 HEIVRSFGTL405 KKEGWRPRRT 415 ILFASWDAAE425 FGLLGSTEWA435 EENSRLLQER445 GVAYINADSS455 IEGNYTLRVD 465 CTPLMYSLVH475 NLTKELKSPD485 EGFEGKSLYE495 SWTKKSPSPE505 FSGMPRISKL 515 GSGNDFEVFF525 QRLGIASGRA535 RYTKNWETNK545 FSGYPLYHSV555 YETYELVEKF 565 YDPMFKYHLT575 VAQVRGGMVF585 ELANSIVLPF595 DCRDYAVVLR605 KYADKIYSIS 615 MKHPQEMKTY625 SVSFDSLFSA635 VKNFTEIASK645 FSERLQDFSN657 PIVLRMMNDQ 667 LMFLERAFID677 PLGLPDRPFY687 RHVIYAPSSH697 NKYAGESFPG707 IYDALFDIES 717 KVDPSKAWGE727 VKRQIYVAAF737 TVQAAAETLS747 EVA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .28Z or .28Z2 or .28Z3 or :328Z;style chemicals stick;color identity;select .A:207 or .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:539 or .A:541 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS207
4.917
PHE209
3.950
ARG210
2.663
GLY256
4.373
ASN257
2.917
TRP381
4.942
ASP387
3.657
ALA424
3.619
GLU425
3.405
PHE426
4.837
GLY427
3.332
LEU428
3.682
ASP453
4.299
GLU457
3.447
ARG463
3.373
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| Ligand Name: Pteropterin | Ligand Info | |||||
| Structure Description | A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyldi-gamma-L-glutamic acid (pteroyltri-gamma-L-glutamic acid) | PDB:4MCQ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
HNMKAFLDEL
65 KAENIKKFLY75 NFTQIPHLAG85 TEQNFQLAKQ95 IQSQWKEFGL105 DSVELAHYDV 115 LLSYPNKTHP125 NYISIINEDG135 NEIFNTSLFE145 PPPPGYENVS155 DIVPPFSAFS 165 PQGMPEGDLV175 YVNYARTEDF185 FKLERDMKIN195 CSGKIVIARY205 GKVFRGNKVK 215 NAQLAGAKGV225 ILYSDPADYF235 APGVKSYPDG245 WNLPGGGVQR255 GNILNLNGAG 265 DPLTPGYPAN275 EYAYRRGIAE285 AVGLPSIPVH295 PIGYYDAQKL305 LEKMGGSAPP 315 DSSWRGSLKV325 PYNVGPGFTG335 NFSTQKVKMH345 IHSTNEVTRI355 YNVIGTLRGA 365 VEPDRYVILG375 GHRDSWVFGG385 IDPQSGAAVV395 HEIVRSFGTL405 KKEGWRPRRT 415 ILFASWDAAE425 FGLLGSTEWA435 EENSRLLQER445 GVAYINADSS455 IEGNYTLRVD 465 CTPLMYSLVH475 NLTKELKSPD485 EGFEGKSLYE495 SWTKKSPSPE505 FSGMPRISKL 515 GSGNDFEVFF525 QRLGIASGRA535 RYTKNWETNK545 FSGYPLYHSV555 YETYELVEKF 565 YDPMFKYHLT575 VAQVRGGMVF585 ELANSIVLPF595 DCRDYAVVLR605 KYADKIYSIS 615 MKHPQEMKTY625 SVSFDSLFSA635 VKNFTEIASK645 FSERLQDFSN657 PIVLRMMNDQ 667 LMFLERAFID677 PLGLPDRPFY687 RHVIYAPSSH697 NKYAGESFPG707 IYDALFDIES 717 KVDPSKAWGE727 VKRQIYVAAF737 TVQAAAETLS747 EVA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29C or .29C2 or .29C3 or :329C;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:465 or .A:501 or .A:511 or .A:513 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:541 or .A:542 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS207
3.351
VAL208
4.680
PHE209
3.892
ARG210
2.722
GLY256
4.350
ASN257
2.863
TRP381
4.824
ASP387
3.334
ALA424
3.670
GLU425
3.309
PHE426
4.752
GLY427
3.261
LEU428
3.714
ASP453
4.285
GLU457
4.509
ARG463
3.221
ASP465
4.221
SER501
4.167
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| Ligand Name: (2s)-2-(Phosphonomethyl)pentanedioic Acid | Ligand Info | |||||
| Structure Description | N-terminally AviTEV-tagged Human Glutamate Carboxypeptidase II in complex with 2-PMPA | PDB:3RBU | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [3] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNKFSG548 YPLYHSVYET558 YELVEKFYDP 568 MFKYHLTVAQ578 VRGGMVFELA588 NSIVLPFDCR598 DYAVVLRKYA608 DKIYSISMKH 618 PQEMKTYSVS628 FDSLFSAVKN638 FTEIASKFSE648 RLQDFDSNPI659 VLRMMNDQLM 669 FLERAFIDPL679 GLPDRPFYRH689 VIYAPSSHNK699 YAGESFPGIY709 DALFDIESKV 719 DPSKAWGEVK729 RQIYVAAFTV739 QAAAETLSEV749 A
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G88 or .G882 or .G883 or :3G88;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:517 or .A:518 or .A:519 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-{[(1s)-1-Carboxy-5-{[2-({4,44-Dioxo-48-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-7,10,13,16,19,22,25,28,31,34,37,40-Dodecaoxa-3,43-Diazaoctatetracont-1-Yl}oxy)benzoyl]amino}pentyl]carbamoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | PDB:4NGP | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [4] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KNPIVLRMMN 665 DQLMFLERAF675 IDPLGLPDRP685 FYRHVIYAPS695 SHNKYAGESF705 PGIYDALFDI 715 ESKVDPSKAW725 GEVKRQIYVA735 AFTVQAAAET745 LSEVA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J31 or .J312 or .J313 or :3J31;style chemicals stick;color identity;select .A:207 or .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:541 or .A:544 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS207
4.477
PHE209
3.980
ARG210
2.750
GLY256
4.550
ASN257
2.911
ASP387
3.666
GLU424
2.970
GLU425
3.422
PHE426
4.825
GLY427
3.393
LEU428
3.606
ASP453
4.178
SER454
4.709
GLU457
3.292
ARG463
3.435
GLY518
2.967
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| Ligand Name: (2S)-2-[[(1S)-5-[[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]phenyl]acetyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | PDB:4NGN | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [4] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J96 or .J962 or .J963 or :3J96;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.937
ARG210
2.737
GLY256
4.499
ASN257
2.899
TRP381
4.987
ASP387
3.680
GLU424
2.908
GLU425
3.403
PHE426
4.857
GLY427
3.392
LEU428
3.575
ASP453
4.043
|
|||||
| Ligand Name: N-{[(1s)-1-Carboxy-5-({[2-({4,44-Dioxo-48-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-7,10,13,16,19,22,25,28,31,34,37,40-Dodecaoxa-3,43-Diazaoctatetracont-1-Yl}oxy)phenyl]carbamoyl}amino)pentyl]carbamoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | PDB:4NGS | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [4] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J34 or .J342 or .J343 or :3J34;style chemicals stick;color identity;select .A:207 or .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:541 or .A:544 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
3.683
PHE209
4.033
ARG210
2.768
GLY256
4.526
ASN257
2.902
TRP381
4.997
ASP387
3.775
GLU424
2.924
GLU425
3.382
PHE426
4.851
GLY427
3.324
LEU428
3.580
ASP453
4.062
SER454
4.648
GLU457
3.080
ARG463
3.452
GLY518
2.988
|
|||||
| Ligand Name: N-({(1s)-5-[acetyl(4-Bromobenzyl)amino]-1-Carboxypentyl}carbamoyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | PDB:4NGM | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [4] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JB7 or .JB72 or .JB73 or :3JB7;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:234 or .A:254 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:518 or .A:519 or .A:534 or .A:536 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
3.737
LYS207
3.348
VAL208
4.218
PHE209
4.021
ARG210
2.802
TYR234
4.262
GLN254
4.579
GLY256
4.457
ASN257
2.890
TRP381
4.976
ASP387
3.716
GLU424
3.008
GLU425
3.387
PHE426
4.808
GLY427
3.259
LEU428
3.618
|
|||||
| Ligand Name: beta-Citryl-L-glutamic acid | Ligand Info | |||||
| Structure Description | Structure of inactive GCPII mutant in complex with beta-citryl glutamate | PDB:5F09 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [5] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAA424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BC8 or .BC82 or .BC83 or :3BC8;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.833
ARG210
2.773
GLY256
4.620
ASN257
2.864
ASP387
3.681
ALA424
3.613
GLU425
3.658
PHE426
4.844
GLY427
3.388
LEU428
3.912
|
|||||
| Ligand Name: N-({(1s)-5-[(4-Bromobenzyl)({6-[4-(4-{4-[4-Carboxy-3-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoyl]piperazin-1-Yl}phenyl)piperazin-1-Yl]pyridin-3-Yl}carbonyl)amino]-1-Carboxypentyl}carbamoyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Avi-GCPII structure in complex with FITC-conjugated GCPII-specific inhibitor | PDB:4X3R | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [6] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFNPIV660 LRMMNDQLMF 670 LERAFIDPLG680 LPDRPFYRHV690 IYAPSSHNKY700 AGESFPGIYD710 ALFDIESKVD 720 PSKAWGEVKR730 QIYVAAFTVQ740 AAAETLSEVA750
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .686 or .6862 or .6863 or :3686;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:465 or .A:511 or .A:513 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:541 or .A:547 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
3.263
VAL208
4.767
PHE209
3.844
ARG210
2.756
GLY256
4.565
ASN257
2.904
TRP381
4.998
ASP387
3.598
GLU424
2.972
GLU425
3.383
PHE426
4.804
GLY427
3.315
LEU428
3.711
ASP453
4.167
SER454
4.540
GLU457
3.628
ARG463
3.099
|
|||||
| Ligand Name: N-{[(1s)-5-({2-[2-(Acetylamino)ethoxy]-4-Bromobenzoyl}amino)-1-Carboxypentyl]carbamoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | PDB:4NGR | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [4] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNGYPL551 YHSVYETYEL561 VEKFYDPMFK 571 YHLTVAQVRG581 GMVFELANSI591 VLPFDCRDYA601 VVLRKYADKI611 YSISMKHPQE 621 MKTYSVSFDS631 LFSAVKNFTE641 IASKFSERLQ651 DFDKSNPIVL661 RMMNDQLMFL 671 ERAFIDPLGL681 PDRPFYRHVI691 YAPSSHNKYA701 GESFPGIYDA711 LFDIESKVDP 721 SKAWGEVKRQ731 IYVAAFTVQA741 AAETLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J21 or .J212 or .J213 or :3J21;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:234 or .A:254 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:548 or .A:549 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
4.203
LYS207
3.456
VAL208
4.309
PHE209
3.837
ARG210
2.744
TYR234
3.157
GLN254
4.618
GLY256
4.496
ASN257
2.842
TRP381
4.960
ASP387
3.592
GLU424
2.957
GLU425
3.403
PHE426
4.806
GLY427
3.369
LEU428
3.559
|
|||||
| Ligand Name: (2S)-2-[[(1S)-5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl-[(4-bromophenyl)methyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | PDB:4NGQ | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [4] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 SGYPLYHSVY556 ETYELVEKFY 566 DPMFKYHLTV576 AQVRGGMVFE586 LANSIVLPFD596 CRDYAVVLRK606 YADKIYSISM 616 KHPQEMKTYS626 VSFDSLFSAV636 KNFTEIASKF646 SERLQDFDKS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J37 or .J372 or .J373 or :3J37;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.860
ARG210
2.656
GLY256
4.438
ASN257
2.864
TRP381
4.995
ASP387
3.680
GLU424
3.038
GLU425
3.382
PHE426
4.899
GLY427
3.415
LEU428
3.675
ASP453
4.229
SER454
4.702
GLU457
3.621
|
|||||
| Ligand Name: N-{[(1s)-5-({[4-Bromo-2-({4,44-Dioxo-48-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-7,10,13,16,19,22,25,28,31,34,37,40-Dodecaoxa-3,43-Diazaoctatetracont-1-Yl}oxy)phenyl]carbamoyl}amino)-1-Carboxypentyl]carbamoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | PDB:4NGT | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [4] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETG548 YPLYHSVYET558 YELVEKFYDP 568 MFKYHLTVAQ578 VRGGMVFELA588 NSIVLPFDCR598 DYAVVLRKYA608 DKIYSISMKH 618 PQEMKTYSVS628 FDSLFSAVKN638 FTEIASKFSE648 RLQDFDKSNP658 IVLRMMNDQL 668 MFLERAFIDP678 LGLPDRPFYR688 HVIYAPSSHN698 KYAGESFPGI708 YDALFDIESK 718 VDPSKAWGEV728 KRQIYVAAFT738 VQAAAETLSE748 VA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J42 or .J422 or .J423 or :3J42;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:465 or .A:513 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:539 or .A:540 or .A:541 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.993
ARG210
2.586
GLY256
4.413
ASN257
2.941
TRP381
4.994
ASP387
3.760
GLU424
2.964
GLU425
3.394
PHE426
4.894
GLY427
3.419
LEU428
3.745
ASP453
4.134
SER454
4.459
GLU457
3.704
ARG463
3.113
ASP465
4.133
SER513
4.512
|
|||||
| Ligand Name: (2s)-2-{[(R)-[(3r)-3-Carboxy-3-{[(4-{[(2,4-Diaminopteridin-6-Yl)methyl](Methyl)amino}phenyl)carbonyl]amino}propyl](Hydroxy)phosphoryl]methyl}pentanedioic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of methotrexate-Glu | PDB:3BI1 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [7] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3BI or .3BI2 or .3BI3 or :33BI;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:539 or .A:541 or .A:544 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
3.207
VAL208
4.675
PHE209
4.032
ARG210
2.771
GLY256
4.675
ASN257
2.888
HIS377
3.081
TRP381
4.985
ASP387
3.150
GLU424
2.811
GLU425
3.223
PHE426
4.863
GLY427
3.428
LEU428
3.628
ASP453
3.138
SER454
4.941
GLU457
4.175
ARG463
3.262
|
|||||
| Ligand Name: N-{[(1s)-1-Carboxy-2-(4-Hydroxy-3-Iodophenyl)ethyl]carbamoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCIT, a urea-based inhibitor | PDB:3D7F | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [8] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFSNPI659 VLRMMNDQLM 669 FLERAFIDPL679 GLPDRPFYRH689 VIYAPSSHNK699 YAGESFPGIY709 DALFDIESKV 719 DPSKAWGEVK729 RQIYVAAFTV739 QAAAETLSEV749 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YBY or .YBY2 or .YBY3 or :3YBY;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:541 or .A:548 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.024
ARG210
2.777
GLY256
4.502
ASN257
2.860
TRP381
4.996
ASP387
3.656
GLU424
3.027
GLU425
3.305
PHE426
4.782
GLY427
3.306
LEU428
3.588
ASP453
3.900
SER454
4.478
|
|||||
| Ligand Name: N-{[(1s)-1-Carboxy-5-{[(4-Iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCIBzL, a urea-based inhibitor | PDB:3D7H | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [8] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YC2 or .YC22 or .YC23 or :3YC2;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.030
ARG210
2.722
GLY256
4.501
ASN257
2.849
ASP387
3.721
GLU424
3.020
GLU425
3.345
PHE426
4.849
GLY427
3.368
LEU428
3.666
ASP453
3.979
SER454
4.427
GLU457
4.232
ARG463
3.319
VAL464
4.258
|
|||||
| Ligand Name: N-({(1S)-5-[4-(13-{[2,4-Bis(dihydroxyamino)phenyl]amino}-2,5,8,11-tetraoxatridec-1-YL)-1H-1,2,3-triazol-1-YL]-1-carboxypentyl}carbamoyl)-L-glutamic acid | Ligand Info | |||||
| Structure Description | Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P4 | PDB:2XEG | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [9] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVQP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CI9 or .CI92 or .CI93 or :3CI9;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:234 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:461 or .A:462 or .A:463 or .A:465 or .A:501 or .A:511 or .A:513 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:539 or .A:541 or .A:542 or .A:547 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
4.541
LYS207
3.136
VAL208
3.896
PHE209
3.975
ARG210
2.755
TYR234
4.751
GLY256
4.489
ASN257
2.887
TRP381
4.937
ASP387
3.676
GLU424
3.011
GLU425
3.385
PHE426
4.803
GLY427
3.294
LEU428
3.744
ASP453
4.126
SER454
4.512
THR461
4.490
LEU462
4.706
ARG463
3.001
|
|||||
| Ligand Name: N-{[(1s)-5-{4-[25-({2,4-Bis[hydroxy(Oxo)ammonio]phenyl}amino)-2,5,8,11,14,17,20,23-Octaoxapentacos-1-Yl]-1h-1,2,3-Triazol-1-Yl}-1-Carboxypentyl]carbamoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P8 | PDB:2XEF | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [9] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVQP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AR8 or .AR82 or .AR83 or :3AR8;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:234 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:461 or .A:462 or .A:463 or .A:465 or .A:501 or .A:511 or .A:513 or .A:514 or .A:515 or .A:516 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:539 or .A:541 or .A:542 or .A:547 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
4.599
LYS207
3.327
VAL208
4.299
PHE209
4.088
ARG210
2.740
TYR234
4.949
GLY256
4.518
ASN257
2.813
ASP387
3.731
GLU424
3.029
GLU425
3.408
PHE426
4.764
GLY427
3.236
LEU428
3.627
ASP453
4.046
SER454
4.479
THR461
4.675
LEU462
4.725
ARG463
3.396
ASP465
3.261
SER501
3.481
ARG511
3.484
|
|||||
| Ligand Name: (2s)-2-{[(S)-(2-Carboxyethyl)(Hydroxy)phosphoryl]methyl}pentanedioic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of Asp-Glu | PDB:3BHX | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [7] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BHX or .BHX2 or .BHX3 or :3BHX;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:517 or .A:518 or .A:519 or .A:534 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.947
ARG210
2.697
GLY256
4.688
ASN257
2.900
HIS377
3.257
TRP381
4.965
ASP387
3.203
GLU424
2.794
GLU425
3.397
PHE426
4.903
GLY427
3.356
|
|||||
| Ligand Name: CID 6971145 | Ligand Info | |||||
| Structure Description | A high resolution crystal structure of human glutamate carboxypeptidase II in complex with quisqualic acid | PDB:2OR4 | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [10] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYDIV158 PPFSAFSPQG 168 MPEGDLVYVN178 YARTEDFFKL188 ERDMKINCSG198 KIVIARYGKV208 FRGNKVKNAQ 218 LAGAKGVILY228 SDPADYFAPG238 VKSYPDGWNL248 PGGGVQRGNI258 LNLNGAGDPL 268 TPGYPANEYA278 YRRGIAEAVG288 LPSIPVHPIG298 YYDAQKLLEK308 MGGSAPPDSS 318 WRGSLKVPYN328 VGPGFTGNFS338 TQKVKMHIHS348 TNEVTRIYNV358 IGTLRGAVEP 368 DRYVILGGHR378 DSWVFGGIDP388 QSGAAVVHEI398 VRSFGTLKKE408 GWRPRRTILF 418 ASWDAEEFGL428 LGSTEWAEEN438 SRLLQERGVA448 YINADSSIEG458 NYTLRVDCTP 468 LMYSLVHNLT478 KELKSPDEGF488 EGKSLYESWT498 KKSPSPEFSG508 MPRISKLGSG 518 NDFEVFFQRL528 GIASGRARYT538 KNNKFSGYPL551 YHSVYETYEL561 VEKFYDPMFK 571 YHLTVAQVRG581 GMVFELANSI591 VLPFDCRDYA601 VVLRKYADKI611 YSISMKHPQE 621 MKTYSVSFDS631 LFSAVKNFTE641 IASKFSERLQ651 DFDKSNPIVL661 RMMNDQLMFL 671 ERAFIDPLGL681 PDRPFYRHVI691 YAPSSHNKYA701 GESFPGIYDA711 LFDIESKVDP 721 SKAWGEVKRQ731 IYVAAFTVQA741 AAETLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QUS or .QUS2 or .QUS3 or :3QUS;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:517 or .A:518 or .A:519 or .A:522 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2s)-2-[(N-Acetyl-L-Alpha-Aspartyl)amino]nonanoic Acid | Ligand Info | |||||
| Structure Description | Human glutamate carboxypeptidase II (E424A inactive mutant ) in complex with N-acetyl-aspartyl-aminooctanoic acid | PDB:3SJG | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [11] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAA424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SDR or .SDR2 or .SDR3 or :3SDR;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:522 or .A:534 or .A:536 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.516
ARG210
2.774
GLY256
4.591
ASN257
2.996
ASP387
3.426
ALA424
3.470
GLU425
3.596
PHE426
4.891
GLY427
3.444
LEU428
3.720
ASP453
2.990
SER454
3.162
GLU457
4.515
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N~2~-{[(1s)-1-Carboxy-3-(Methylsulfanyl)propyl]carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II in complex with a urea-based inhibitor (A25) | PDB:3SJF | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [11] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JRG or .JRG2 or .JRG3 or :3JRG;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.019
ARG210
2.645
GLY256
4.499
ASN257
3.583
ASP387
3.782
GLU424
3.087
GLU425
3.374
GLY427
3.615
LEU428
3.803
ASP453
3.947
SER454
4.449
GLU457
4.009
ARG463
3.438
VAL464
4.170
ASP465
3.250
|
|||||
| Ligand Name: N~2~-{[(1s)-1-Carboxybut-3-Yn-1-Yl]carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine | Ligand Info | |||||
| Structure Description | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CEIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxybut-3-yn-1-yl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | PDB:4OC2 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [12] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2QQ or .2QQ2 or .2QQ3 or :32QQ;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:261 or .A:387 or .A:424 or .A:425 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.928
ARG210
2.683
GLY256
4.440
ASN257
3.531
LEU261
3.865
ASP387
3.850
GLU424
3.057
GLU425
3.314
GLY427
4.336
LEU428
3.884
ASP453
4.004
SER454
4.520
GLU457
4.023
ARG463
3.456
|
|||||
| Ligand Name: N-Acetyl-L-Alpha-Aspartyl-L-Methionine | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-methionine | PDB:3SJX | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | Yes | [11] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAA424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETG548 YPLYHSVYET558 YELVEKFYDP 568 MFKYHLTVAQ578 VRGGMVFELA588 NSIVLPFDCR598 DYAVVLRKYA608 DKIYSISMKH 618 PQEMKTYSVS628 FDSLFSAVKN638 FTEIASKFSE648 RLQDFSNPIV660 LRMMNDQLMF 670 LERAFIDPLG680 LPDRPFYRHV690 IYAPSSHNKY700 AGESFPGIYD710 ALFDIESKVD 720 PSKAWGEVKR730 QIYVAAFTVQ740 AAAETLSEVA750
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QRG or .QRG2 or .QRG3 or :3QRG;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.501
ARG210
2.744
GLY256
4.540
ASN257
2.960
ASP387
3.472
ALA424
3.841
GLU425
3.767
PHE426
4.898
GLY427
3.434
LEU428
4.088
ASP453
3.071
SER454
3.161
|
|||||
| Ligand Name: N~2~-{[(1s)-1-Carboxy-2-(Pyridin-4-Yl)ethyl]carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine | Ligand Info | |||||
| Structure Description | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CPIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | PDB:4OC4 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [12] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYNVS155 DIVPPFSAFS 165 PQGMPEGDLV175 YVNYARTEDF185 FKLERDMKIN195 CSGKIVIARY205 GKVFRGNKVK 215 NAQLAGAKGV225 ILYSDPADYF235 APGVKSYPDG245 WNLPGGGVQR255 GNILNLNGAG 265 DPLTPGYPAN275 EYAYRRGIAE285 AVGLPSIPVH295 PIGYYDAQKL305 LEKMGGSAPP 315 DSSWRGSLKV325 PYNVGPGFTG335 NFSTQKVKMH345 IHSTNEVTRI355 YNVIGTLRGA 365 VEPDRYVILG375 GHRDSWVFGG385 IDPQSGAAVV395 HEIVRSFGTL405 KKEGWRPRRT 415 ILFASWDAEE425 FGLLGSTEWA435 EENSRLLQER445 GVAYINADSS455 IEGNYTLRVD 465 CTPLMYSLVH475 NLTKELKSPD485 EGFEGKSLYE495 SWTKKSPSPE505 FSGMPRISKL 515 GSGNDFEVFF525 QRLGIASGRA535 RYTKNNKFSG548 YPLYHSVYET558 YELVEKFYDP 568 MFKYHLTVAQ578 VRGGMVFELA588 NSIVLPFDCR598 DYAVVLRKYA608 DKIYSISMKH 618 PQEMKTYSVS628 FDSLFSAVKN638 FTEIASKFSE648 RLQDFSNPIV660 LRMMNDQLMF 670 LERAFIDPLG680 LPDRPFYRHV690 IYAPSSHNKY700 AGESFPGIYD710 ALFDIESKVD 720 PSKAWGEVKR730 QIYVAAFTVQ740 AAAETLSEVA750
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2QN or .2QN2 or .2QN3 or :32QN;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.477
ARG210
2.645
GLY256
4.483
ASN257
3.661
ASP387
3.762
GLU424
3.077
GLU425
3.287
GLY427
4.260
LEU428
3.377
ASP453
4.061
SER454
4.508
GLU457
4.060
ARG463
3.414
VAL464
4.291
ASP465
3.183
|
|||||
| Ligand Name: (2s)-2-{[(S)-[(3s)-3-Amino-3-Carboxypropyl](Hydroxy)phosphoryl]methyl}pentanedioic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of Glu-Glu | PDB:3BI0 | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [7] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BIX or .BIX2 or .BIX3 or :3BIX;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:517 or .A:518 or .A:519 or .A:534 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.166
ARG210
2.689
GLY256
4.644
ASN257
2.982
HIS377
3.252
TRP381
4.988
ASP387
3.250
GLU424
2.840
GLU425
3.400
PHE426
4.885
GLY427
3.322
|
|||||
| Ligand Name: Dcfbc | Ligand Info | |||||
| Structure Description | A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCFBD, a urea-based inhibitor | PDB:3D7D | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [8] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FBD or .FBD2 or .FBD3 or :3FBD;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:465 or .A:518 or .A:519 or .A:534 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.024
ARG210
2.683
GLY256
4.527
ASN257
2.877
ASP387
3.804
GLU424
3.023
GLU425
3.350
PHE426
4.772
GLY427
3.251
LEU428
3.671
ASP453
3.878
SER454
4.484
GLU457
3.644
ARG463
3.295
|
|||||
| Ligand Name: N-({(1s)-5-[4-({2-[2-({2,4-Bis[hydroxy(Oxo)ammonio]phenyl}amino)ethoxy]ethoxy}methyl)-1h-1,2,3-Triazol-1-Yl]-1-Carboxypentyl}carbamoyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P2 | PDB:2XEI | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [9] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ARK or .ARK2 or .ARK3 or :3ARK;style chemicals stick;color identity;select .A:207 or .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:460 or .A:461 or .A:462 or .A:463 or .A:465 or .A:500 or .A:501 or .A:511 or .A:513 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:539 or .A:540 or .A:541 or .A:542 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
4.790
PHE209
4.101
ARG210
2.793
GLY256
4.498
ASN257
2.925
TRP381
4.962
ASP387
3.709
GLU424
2.991
GLU425
3.250
PHE426
4.913
GLY427
3.401
LEU428
3.901
ASP453
3.817
SER454
4.371
TYR460
4.648
THR461
3.257
LEU462
4.691
ARG463
3.569
ASP465
4.300
|
|||||
| Ligand Name: N~2~-{[(S)-Carboxy(4-Hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine | Ligand Info | |||||
| Structure Description | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CHIBzL, a urea-based inhibitor N~2~-{[(S)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | PDB:4OC5 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [12] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2QM or .2QM2 or .2QM3 or :32QM;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:261 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.580
ARG210
2.578
GLY256
4.411
ASN257
3.409
LEU261
4.810
ASP387
3.709
GLU424
3.154
GLU425
3.606
PHE426
4.882
GLY427
3.576
LEU428
3.446
ASP453
3.938
SER454
4.230
GLU457
4.077
ARG463
3.319
VAL464
4.194
|
|||||
| Ligand Name: 6-Oxa-4,11,16,23-tetraaza-5-phosphatetracosane-1,3,10,15-tetracarboxylic acid, 24-(4-fluorophenyl)-5-hydroxy-12,17,24-trioxo-, 5-oxide, (3S,10S,15S)- | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with CTT1057 | PDB:4JYW | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [13] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T57 or .T572 or .T573 or :3T57;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:460 or .A:461 or .A:462 or .A:463 or .A:465 or .A:500 or .A:501 or .A:511 or .A:513 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:539 or .A:540 or .A:541 or .A:542 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
3.314
VAL208
4.779
PHE209
4.160
ARG210
2.741
GLY256
4.724
ASN257
2.883
HIS377
3.239
TRP381
4.957
ASP387
3.165
GLU424
2.754
GLU425
3.285
PHE426
4.827
GLY427
3.356
LEU428
3.654
ASP453
2.973
GLU457
3.508
TYR460
4.265
THR461
3.921
LEU462
4.591
ARG463
2.796
ASP465
4.676
|
|||||
| Ligand Name: (2s)-2-[({(1s)-1-Carboxy-2-[(2s)-Oxiran-2-Yl]ethyl}carbamoyl)amino]-6-[(4-Iodobenzoyl)amino]hexanoic Acid (Non-Preferred Name) | Ligand Info | |||||
| Structure Description | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with COIBzL, a urea-based inhibitor (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid | PDB:4OC1 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [12] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2QS or .2QS2 or .2QS3 or :32QS;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.022
ARG210
2.651
GLY256
4.443
ASN257
3.392
TRP381
4.987
ASP387
3.736
GLU424
2.991
GLU425
3.200
GLY427
4.668
LEU428
3.696
ASP453
3.874
SER454
4.214
GLU457
3.921
ARG463
3.530
VAL464
4.172
|
|||||
| Ligand Name: N-{[(1r)-1-Carboxy-2-(Methylsulfanyl)ethyl]carbamoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCMC, a urea-based inhibitor | PDB:3D7G | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [8] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNNKFS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFSNPI659 VLRMMNDQLM 669 FLERAFIDPL679 GLPDRPFYRH689 VIYAPSSHNK699 YAGESFPGIY709 DALFDIESKV 719 DPSKAWGEVK729 RQIYVAAFTV739 QAAAETLSEV749 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MUD or .MUD2 or .MUD3 or :3MUD;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:518 or .A:519 or .A:534 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.030
ARG210
2.678
GLY256
4.493
ASN257
2.887
ASP387
3.855
GLU424
3.023
GLU425
3.336
PHE426
4.795
GLY427
3.274
LEU428
3.623
ASP453
3.921
SER454
4.575
GLU457
4.919
|
|||||
| Ligand Name: N-(4-Fluorobenzoyl)-L-Gamma-Glutamyl-5-{[(S)-{[(1s)-1,3-Dicarboxypropyl]amino}(Hydroxy)phosphoryl]oxy}-L-Norvaline | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor CTT1056 | PDB:4LQG | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [14] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 SGYPLYHSVY556 ETYELVEKFY 566 DPMFKYHLTV576 AQVRGGMVFE586 LANSIVLPFD596 CRDYAVVLRK606 YADKIYSISM 616 KHPQEMKTYS626 VSFDSLFSAV636 KNFTEIASKF646 SERLQDFSNP658 IVLRMMNDQL 668 MFLERAFIDP678 LGLPDRPFYR688 HVIYAPSSHN698 KYAGESFPGI708 YDALFDIESK 718 VDPSKAWGEV728 KRQIYVAAFT738 VQAAAETLSE748 VA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CTW or .CTW2 or .CTW3 or :3CTW;style chemicals stick;color identity;select .A:207 or .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:465 or .A:501 or .A:511 or .A:513 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:541 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
4.668
PHE209
4.135
ARG210
2.653
GLY256
4.700
ASN257
2.935
HIS377
3.254
TRP381
4.968
ASP387
3.112
GLU424
2.765
GLU425
3.264
PHE426
4.879
GLY427
3.419
LEU428
3.702
ASP453
2.900
GLU457
4.069
ARG463
2.868
ASP465
4.735
|
|||||
| Ligand Name: N-({(1S)-1-Carboxy-5-[4-(2,5,8,11,14-pentaoxapentadec-1-YL)-1H-1,2,3-triazol-1-YL]pentyl}carbamoyl)-L-glutamic acid | Ligand Info | |||||
| Structure Description | Human glutamate carboxypeptidase II in complex with ARM-M4, urea- based inhibitor | PDB:2XEJ | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [9] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVQP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OKD or .OKD2 or .OKD3 or :3OKD;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:518 or .A:519 or .A:534 or .A:536 or .A:547 or .A:548 or .A:552 or .A:553 or .A:610 or .A:698 or .A:699 or .A:700 or .A:701; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
4.684
LYS207
3.184
VAL208
4.316
PHE209
3.960
ARG210
2.730
GLY256
4.502
ASN257
2.932
TRP381
4.990
ASP387
3.724
GLU424
3.041
GLU425
3.350
PHE426
4.821
GLY427
3.333
LEU428
3.624
ASP453
4.189
|
|||||
| Ligand Name: N~2~-{[(1s)-1-Carboxy-2-(Furan-2-Yl)ethyl]carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine | Ligand Info | |||||
| Structure Description | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CFIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(furan-2-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | PDB:4OC3 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [12] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2QP or .2QP2 or .2QP3 or :32QP;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.549
ARG210
2.699
GLY256
4.449
ASN257
3.568
ASP387
3.927
GLU424
3.109
GLU425
3.427
GLY427
3.677
LEU428
3.466
ASP453
3.983
SER454
4.422
GLU457
3.945
ARG463
3.481
VAL464
4.201
ASP465
3.243
|
|||||
| Ligand Name: N-(4-Fluorobenzoyl)-L-Gamma-Glutamyl-O-[(S)-{[(1s)-1,3-Dicarboxypropyl]amino}(Hydroxy)phosphoryl]-L-Serine | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with CTT1055 | PDB:4JZ0 | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [15] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KGYPLYHSVY556 ETYELVEKFY 566 DPMFKYHLTV576 AQVRGGMVFE586 LANSIVLPFD596 CRDYAVVLRK606 YADKIYSISM 616 KHPQEMKTYS626 VSFDSLFSAV636 KNFTEIASKF646 SERLQDFSNP658 IVLRMMNDQL 668 MFLERAFIDP678 LGLPDRPFYR688 HVIYAPSSHN698 KYAGESFPGI708 YDALFDIESK 718 VDPSKAWGEV728 KRQIYVAAFT738 VQAAAETLSE748 VA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T01 or .T012 or .T013 or :3T01;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:234 or .A:254 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:548 or .A:549 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
4.346
LYS207
3.396
VAL208
4.760
PHE209
3.964
ARG210
2.694
TYR234
2.717
GLN254
4.132
GLY256
4.657
ASN257
2.870
HIS377
3.107
TRP381
4.914
ASP387
3.001
GLU424
2.802
GLU425
3.325
PHE426
4.810
GLY427
3.367
|
|||||
| Ligand Name: N~2~-[(1-Carboxycyclopropyl)carbamoyl]-N~6~-(4-Iodobenzoyl)-L-Lysine | Ligand Info | |||||
| Structure Description | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CCIBzL, a urea-based inhibitor N~2~-[(1-carboxycyclopropyl)carbamoyl]-N~6~-(4-iodobenzoyl)-L-lysine | PDB:4OC0 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [12] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2R7 or .2R72 or .2R73 or :32R7;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.899
ARG210
2.736
GLY256
4.628
ASN257
3.889
ASP387
4.021
GLU424
3.268
GLU425
2.738
GLY427
4.926
LEU428
4.291
ASP453
3.743
SER454
4.383
GLU457
3.907
ARG463
3.243
VAL464
4.299
|
|||||
| Ligand Name: L-Serine O-sulfate | Ligand Info | |||||
| Structure Description | Structure of human glutamate carboxypeptidase II (GCPII) in complex with L-serine-O-sulfate | PDB:2PVV | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [10] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OSE or .OSE2 or .OSE3 or :3OSE;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:517 or .A:518 or .A:519 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~2~-{[(1s)-1-Carboxybut-3-En-1-Yl]carbamoyl}-N~6~-[(4-Iodophenyl)carbonyl]-L-Lysine | Ligand Info | |||||
| Structure Description | Crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DBIBzL, a urea-based inhibitor | PDB:3IWW | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YZE or .YZE2 or .YZE3 or :3YZE;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:261 or .A:387 or .A:424 or .A:425 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.079
ARG210
2.439
GLY256
4.334
ASN257
3.597
LEU261
3.901
ASP387
3.850
GLU424
3.221
GLU425
3.418
GLY427
3.834
LEU428
3.530
ASP453
3.562
SER454
4.268
GLU457
3.859
ARG463
3.449
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{S})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1007 | PDB:5O5T | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [17] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9OT or .9OT2 or .9OT3 or :39OT;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:462 or .A:463 or .A:501 or .A:511 or .A:513 or .A:514 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:538 or .A:541 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
3.489
VAL208
4.716
PHE209
3.829
ARG210
2.697
GLY256
4.519
ASN257
2.838
TRP381
4.959
ASP387
3.631
GLU424
3.102
GLU425
3.367
PHE426
4.809
GLY427
3.326
LEU428
3.695
ASP453
4.078
SER454
4.383
GLU457
3.326
LEU462
4.436
ARG463
2.992
SER501
4.026
ARG511
3.355
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII), the E424M inactive mutant, in complex with a inhibitor CFBzOG | PDB:5OF0 | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | Yes | [18] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAM424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWFSG548 YPLYHSVYET558 YELVEKFYDP 568 MFKYHLTVAQ578 VRGGMVFELA588 NSIVLPFDCR598 DYAVVLRKYA608 DKIYSISMKH 618 PQEMKTYSVS628 FDSLFSAVKN638 FTEIASKFSE648 RLQDFDKSNP658 IVLRMMNDQL 668 MFLERAFIDP678 LGLPDRPFYR688 HVIYAPSSHN698 KYAGESFPGI708 YDALFDIESK 718 VDPSKAWGEV728 KRQIYVAAFT738 VQAAAETLSE748 VA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9TB or .9TB2 or .9TB3 or :39TB;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:464 or .A:465 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:546 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.857
ARG210
2.744
GLY256
4.499
ASN257
2.884
ASP387
4.067
MET424
3.424
GLU425
3.510
PHE426
4.912
GLY427
3.382
LEU428
3.647
ASP453
3.908
SER454
4.700
GLU457
4.401
|
|||||
| Ligand Name: (2S)-2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU 2249 | PDB:6FE5 | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | Yes | [19] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAM424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNNKFS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFDKSN657 PIVLRMMNDQ 667 LMFLERAFID677 PLGLPDRPFY687 RHVIYAPSSH697 NKYAGESFPG707 IYDALFDIES 717 KVDPSKAWGE727 VKRQIYVAAF737 TVQAAAETLS747 EVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D6E or .D6E2 or .D6E3 or :3D6E;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:518 or .A:519 or .A:534 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.941
ARG210
2.665
GLY256
4.440
ASN257
2.905
TRP381
4.961
ASP387
3.927
MET424
3.399
GLU425
3.379
PHE426
4.910
GLY427
3.369
LEU428
3.643
ASP453
4.107
SER454
4.710
GLU457
4.791
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1027 | PDB:5O5U | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [20] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9LZ or .9LZ2 or .9LZ3 or :39LZ;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:504 or .A:505 or .A:511 or .A:512 or .A:513 or .A:514 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:541 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:610 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
3.457
VAL208
4.770
PHE209
3.877
ARG210
2.703
GLY256
4.562
ASN257
2.878
ASP387
3.703
GLU424
3.061
GLU425
3.377
PHE426
4.800
GLY427
3.366
LEU428
3.629
ASP453
4.058
SER454
4.428
GLU457
3.241
ARG463
3.046
PRO504
3.659
GLU505
4.906
ARG511
3.564
ILE512
4.965
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp | PDB:6SKH | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [21] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAM424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LHK or .LHK2 or .LHK3 or :3LHK;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.886
ARG210
2.761
GLY256
4.491
ASN257
2.900
TRP381
4.951
ASP387
3.803
MET424
3.330
GLU425
3.642
PHE426
4.958
GLY427
3.433
LEU428
3.651
ASP453
3.356
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | PDB:6SGP | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [22] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAM424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETG548 YPLYHSVYET558 YELVEKFYDP 568 MFKYHLTVAQ578 VRGGMVFELA588 NSIVLPFDCR598 DYAVVLRKYA608 DKIYSISMKH 618 PQEMKTYSVS628 FDSLFSAVKN638 FTEIASKFSE648 RLQDFDKSNP658 IVLRMMNDQL 668 MFLERAFIDP678 LGLPDRPFYR688 HVIYAPSSHN698 KYAGESFPGI708 YDALFDIESK 718 VDPSKAWGEV728 KRQIYVAAFT738 VQAAAETLSE748 VA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LDK or .LDK2 or .LDK3 or :3LDK;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:541 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.164
ARG210
2.839
GLY256
4.551
ASN257
2.936
ASP387
3.869
MET424
3.216
GLU425
3.650
PHE426
4.985
GLY427
3.470
LEU428
3.711
ASP453
3.242
GLU457
4.259
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU3372 | PDB:6EZ9 | ||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | Yes | [19] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAM424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNNKFS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFDKSN657 PIVLRMMNDQ 667 LMFLERAFID677 PLGLPDRPFY687 RHVIYAPSSH697 NKYAGESFPG707 IYDALFDIES 717 KVDPSKAWGE727 VKRQIYVAAF737 TVQAAAETLS747 EVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C68 or .C682 or .C683 or :3C68;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:518 or .A:519 or .A:534 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.928
ARG210
2.710
GLY256
4.453
ASN257
2.904
TRP381
4.974
ASP387
4.075
MET424
3.476
GLU425
3.522
PHE426
4.942
GLY427
3.452
LEU428
3.656
ASP453
4.057
SER454
4.636
GLU457
4.670
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU2379 | PDB:6F5L | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [19] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNNKFS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFDKSN657 PIVLRMMNDQ 667 LMFLERAFID677 PLGLPDRPFY687 RHVIYAPSSH697 NKYAGESFPG707 IYDALFDIES 717 KVDPSKAWGE727 VKRQIYVAAF737 TVQAAAETLS747 EVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CQB or .CQB2 or .CQB3 or :3CQB;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.078
ARG210
2.649
GLY256
4.468
ASN257
2.915
TRP381
4.996
ASP387
3.746
GLU424
2.950
GLU425
3.318
PHE426
4.843
GLY427
3.387
LEU428
3.593
ASP453
4.006
SER454
4.649
GLU457
4.774
|
|||||
| Ligand Name: N-Sulfamoyl-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a glutamyl sulfamide inhibitor CJC47 | PDB:4W9Y | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [23] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNNKFS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFSNPI659 VLRMMNDQLM 669 FLERAFIDPL679 GLPDRPFYRH689 VIYAPSSHNK699 YAGESFPGIY709 DALFDIESKV 719 DPSKAWGEVK729 RQIYVAAFTV739 QAAAETLSEV749 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3K0 or .3K02 or .3K03 or :33K0;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:261 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:517 or .A:518 or .A:519 or .A:534 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.380
ARG210
1.929
GLY256
4.206
ASN257
2.031
LEU261
4.895
HIS377
3.268
TRP381
4.292
ASP387
3.284
GLU424
2.751
GLU425
3.154
PHE426
4.810
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{R})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1023 | PDB:5O5R | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [24] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9OQ or .9OQ2 or .9OQ3 or :39OQ;style chemicals stick;color identity;select .A:182 or .A:183 or .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:610 or .A:697 or .A:698 or .A:699 or .A:700 or .A:701 or .A:709 or .A:713; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR182
4.094
GLU183
2.876
LYS207
3.417
VAL208
4.757
PHE209
3.906
ARG210
2.692
GLY256
4.533
ASN257
2.890
ASP387
3.654
GLU424
3.158
GLU425
3.378
PHE426
4.834
GLY427
3.352
LEU428
3.670
ASP453
4.048
SER454
4.386
GLU457
3.256
ARG463
2.912
SER517
4.491
|
|||||
| Ligand Name: N-[(S)-[2-(Benzoylamino)ethoxy](Hydroxy)phosphoryl]-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor MP1C | PDB:4P4D | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [25] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNGYPL551 YHSVYETYEL561 VEKFYDPMFK 571 YHLTVAQVRG581 GMVFELANSI591 VLPFDCRDYA601 VVLRKYADKI611 YSISMKHPQE 621 MKTYSVSFDS631 LFSAVKNFTE641 IASKFSERLQ651 DFSNPIVLRM663 MNDQLMFLER 673 AFIDPLGLPD683 RPFYRHVIYA693 PSSHNKYAGE703 SFPGIYDALF713 DIESKVDPSK 723 AWGEVKRQIY733 VAAFTVQAAA743 ETLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2GR or .2GR2 or .2GR3 or :32GR;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.046
ARG210
2.737
GLY256
4.755
ASN257
2.886
HIS377
3.250
TRP381
4.980
ASP387
3.217
GLU424
2.699
GLU425
3.332
PHE426
4.856
GLY427
3.374
LEU428
3.650
ASP453
3.003
|
|||||
| Ligand Name: N-[(S)-[(2r)-2-(Benzoylamino)-2-Carboxyethoxy](Hydroxy)phosphoryl]-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33D | PDB:4P4J | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [25] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNYPLY552 HSVYETYELV562 EKFYDPMFKY 572 HLTVAQVRGG582 MVFELANSIV592 LPFDCRDYAV602 VLRKYADKIY612 SISMKHPQEM 622 KTYSVSFDSL632 FSAVKNFTEI642 ASKFSERLQD652 FSNPIVLRMM664 NDQLMFLERA 674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD714 IESKVDPSKA 724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2H9 or .2H92 or .2H93 or :32H9;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.031
ARG210
2.739
GLY256
4.728
ASN257
2.899
HIS377
3.286
TRP381
4.979
ASP387
3.145
GLU424
2.727
GLU425
3.334
PHE426
4.839
GLY427
3.375
LEU428
3.602
ASP453
3.005
|
|||||
| Ligand Name: N-[(S)-Hydroxy(4-Phenylbutoxy)phosphoryl]-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor MP1D | PDB:4P4E | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [25] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2G4 or .2G42 or .2G43 or :32G4;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:539 or .A:544 or .A:545 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.169
ARG210
2.759
GLY256
4.753
ASN257
2.905
HIS377
3.312
ASP387
3.071
GLU424
2.808
GLU425
3.368
PHE426
4.885
GLY427
3.393
LEU428
3.632
ASP453
2.879
GLU457
3.045
ARG463
3.782
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU3371 | PDB:6ETY | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [19] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BXK or .BXK2 or .BXK3 or :3BXK;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:517 or .A:518 or .A:519 or .A:534 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.885
ARG210
2.658
GLY256
4.501
ASN257
2.919
ASP387
3.905
GLU424
2.953
GLU425
3.441
PHE426
4.846
GLY427
3.380
LEU428
3.692
ASP453
3.586
|
|||||
| Ligand Name: (((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490 | PDB:7BFZ | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [26] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TKZ or .TKZ2 or .TKZ3 or :3TKZ;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:234 or .A:254 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:511 or .A:512 or .A:513 or .A:514 or .A:518 or .A:519 or .A:534 or .A:536 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
3.422
LYS207
3.060
VAL208
3.554
PHE209
3.923
ARG210
2.705
TYR234
4.835
GLN254
4.905
GLY256
4.470
ASN257
2.925
TRP381
4.971
ASP387
3.543
GLU424
2.944
GLU425
3.378
PHE426
4.851
GLY427
3.366
LEU428
3.591
ASP453
4.134
SER454
4.511
GLU457
4.960
|
|||||
| Ligand Name: N-(4-Fluorobenzoyl)-L-Alloisoleucyl-O-[(S)-{[(1s)-1,3-Dicarboxypropyl]amino}(Hydroxy)phosphoryl]-L-Serine | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-81 | PDB:4P44 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [25] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFSNPI659 VLRMMNDQLM 669 FLERAFIDPL679 GLPDRPFYRH689 VIYAPSSHNK699 YAGESFPGIY709 DALFDIESKV 719 DPSKAWGEVK729 RQIYVAAFTV739 QAAAETLSEV749 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2F7 or .2F72 or .2F73 or :32F7;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:521 or .A:534 or .A:536 or .A:548 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
3.336
LYS207
3.055
VAL208
3.162
PHE209
4.149
ARG210
2.706
GLY256
4.775
ASN257
2.893
HIS377
3.385
TRP381
4.984
ASP387
3.073
GLU424
2.760
GLU425
3.302
PHE426
4.813
GLY427
3.363
LEU428
3.672
|
|||||
| Ligand Name: (2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII)-E424M inactive mutant, in complex with a inhibitor KB1160 | PDB:6S1X | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | Yes | [27] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAM424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KRZ or .KRZ2 or .KRZ3 or :3KRZ;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:464 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:535 or .A:536 or .A:541 or .A:547 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.704
ARG210
2.650
GLY256
4.414
ASN257
2.937
TRP381
4.953
ASP387
3.548
MET424
3.363
GLU425
3.419
PHE426
4.896
GLY427
3.369
LEU428
3.642
ASP453
3.890
GLU457
2.953
ARG463
3.033
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157 | PDB:6RBC | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [27] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JX5 or .JX52 or .JX53 or :3JX5;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:465 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:545 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
3.902
ARG210
2.667
GLY256
4.500
ASN257
2.940
ASP387
3.451
GLU424
2.909
GLU425
3.458
PHE426
4.883
GLY427
3.349
LEU428
3.693
ASP453
3.731
GLU457
3.669
ARG463
2.983
ASP465
3.301
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1 | PDB:6H7Y | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [18] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FVZ or .FVZ2 or .FVZ3 or :3FVZ;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:541 or .A:545 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
4.542
LYS207
3.116
VAL208
4.227
PHE209
3.836
ARG210
2.707
GLY256
4.538
ASN257
2.902
ASP387
3.632
GLU424
3.090
GLU425
3.470
PHE426
4.891
GLY427
3.445
LEU428
3.702
ASP453
4.035
SER454
4.482
|
|||||
| Ligand Name: Tris(hydroxyethyl)aminomethane | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 1-79-1 | PDB:6H7Y | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [18] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFD654 KSNPIVLRMM 664 NDQLMFLERA674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD 714 IESKVDPSKA724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TAM or .TAM2 or .TAM3 or :3TAM;style chemicals stick;color identity;select .A:268 or .A:269 or .A:270 or .A:271 or .A:272 or .A:281 or .A:501 or .A:511 or .A:513 or .A:541 or .A:685 or .A:686; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[(S)-(Biphenyl-4-Ylmethoxy)(Hydroxy)phosphoryl]-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor NC-2-40 | PDB:4P4F | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [25] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2GB or .2GB2 or .2GB3 or :32GB;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:538 or .A:539 or .A:544 or .A:545 or .A:546 or .A:547 or .A:548 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.268
ARG210
2.664
GLY256
4.750
ASN257
2.953
HIS377
3.238
TRP381
4.972
ASP387
3.197
GLU424
2.698
GLU425
3.251
PHE426
4.898
GLY427
3.391
LEU428
3.697
ASP453
2.922
GLU457
3.564
ARG463
3.570
|
|||||
| Ligand Name: N-(4-Fluorobenzoyl)-L-Valyl-O-[(S)-{[(1s)-1,3-Dicarboxypropyl]amino}(Hydroxy)phosphoryl]-L-Serine | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-73 | PDB:4P45 | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [25] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETG548 YPLYHSVYET558 YELVEKFYDP 568 MFKYHLTVAQ578 VRGGMVFELA588 NSIVLPFDCR598 DYAVVLRKYA608 DKIYSISMKH 618 PQEMKTYSVS628 FDSLFSAVKN638 FTEIASKFSE648 RLQDFSNPIV660 LRMMNDQLMF 670 LERAFIDPLG680 LPDRPFYRHV690 IYAPSSHNKY700 AGESFPGIYD710 ALFDIESKVD 720 PSKAWGEVKR730 QIYVAAFTVQ740 AAAETLSEVA750
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2F9 or .2F92 or .2F93 or :32F9;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS207
3.468
VAL208
4.962
PHE209
4.046
ARG210
2.757
GLY256
4.717
ASN257
2.895
HIS377
3.315
TRP381
4.933
ASP387
3.045
GLU424
2.783
GLU425
3.315
PHE426
4.847
GLY427
3.373
LEU428
3.688
ASP453
2.762
|
|||||
| Ligand Name: N-[(S)-[(2s)-2-(Benzoylamino)-2-Carboxyethoxy](Hydroxy)phosphoryl]-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33 | PDB:4P4I | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [25] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 SGYPLYHSVY556 ETYELVEKFY 566 DPMFKYHLTV576 AQVRGGMVFE586 LANSIVLPFD596 CRDYAVVLRK606 YADKIYSISM 616 KHPQEMKTYS626 VSFDSLFSAV636 KNFTEIASKF646 SERLQDFSNP658 IVLRMMNDQL 668 MFLERAFIDP678 LGLPDRPFYR688 HVIYAPSSHN698 KYAGESFPGI708 YDALFDIESK 718 VDPSKAWGEV728 KRQIYVAAFT738 VQAAAETLSE748 VA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2G5 or .2G52 or .2G53 or :32G5;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:463 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:541 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.138
ARG210
2.754
GLY256
4.757
ASN257
2.874
HIS377
3.319
TRP381
4.980
ASP387
3.204
GLU424
2.768
GLU425
3.336
PHE426
4.837
GLY427
3.383
LEU428
3.652
ASP453
2.930
|
|||||
| Ligand Name: L-Gamma-Glutamyl-O-[(S)-{[(1s)-1,3-Dicarboxypropyl]amino}(Hydroxy)phosphoryl]-L-Serine | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor CTT54 | PDB:4P4B | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [25] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2G2 or .2G22 or .2G23 or :32G2;style chemicals stick;color identity;select .A:209 or .A:210 or .A:234 or .A:254 or .A:256 or .A:257 or .A:377 or .A:381 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:457 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:547 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.025
ARG210
2.736
TYR234
2.588
GLN254
3.900
GLY256
4.691
ASN257
2.833
HIS377
3.243
TRP381
4.952
ASP387
3.113
GLU424
2.780
GLU425
3.287
PHE426
4.783
GLY427
3.327
LEU428
3.628
|
|||||
| Ligand Name: (2S)-2-{[Hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid | Ligand Info | |||||
| Structure Description | membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid | PDB:2C6C | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [28] |
| PDB Sequence |
NMKAFLDELK
66 AENIKKFLYN76 FTQIPHLAGT86 EQNFQLAKQI96 QSQWKEFGLD106 SVELAHYDVL 116 LSYPNKTHPN126 YISIINEDGN136 EIFNTSLFEP146 PPPGYENVSD156 IVPPFSAFSP 166 QGMPEGDLVY176 VNYARTEDFF186 KLERDMKINC196 SGKIVIARYG206 KVFRGNKVKN 216 AQLAGAKGVI226 LYSDPADYFA236 PGVKSYPDGW246 NLPGGGVQRG256 NILNLNGAGD 266 PLTPGYPANE276 YAYRRGIAEA286 VGLPSIPVHP296 IGYYDAQKLL306 EKMGGSAPPD 316 SSWRGSLKVP326 YNVGPGFSTQ340 KVKMHIHSTN350 EVTRIYNVIG360 TLRGAVEPDR 370 YVILGGHRDS380 WVFGGIDPQS390 GAAVVHEIVR400 SFGTLKKEGW410 RPRRTILFAS 420 WDAEEFGLLG430 STEWAEENSR440 LLQERGVAYI450 NADSSIEGNY460 TLRVDCTPLM 470 YSLVHNLTKE480 LKSPDEGFEG490 KSLYESWTKK500 SPSPEFSGMP510 RISKLGSGND 520 FEVFFQRLGI530 ASGRARYTKN540 SGYPLYHSVY556 ETYELVEKFY566 DPMFKYHLTV 576 AQVRGGMVFE586 LANSIVLPFD596 CRDYAVVLRK606 YADKIYSISM616 KHPQEMKTYS 626 VSFDSLFSAV636 KNFTEIASKF646 SERLQDFDNP658 IVLRMMNDQL668 MFLERAFIDP 678 LGLPDRPFYR688 HVIYAPSSHN698 KYAGESFPGI708 YDALFDIESK718 VDPSKAWGEV 728 KRQIYVAAFT738 VQAAAETLSE748 VA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .24I or .24I2 or .24I3 or :324I;style chemicals stick;color identity;select .A:209 or .A:210 or .A:256 or .A:257 or .A:377 or .A:386 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:456 or .A:457 or .A:517 or .A:518 or .A:519 or .A:534 or .A:536 or .A:549 or .A:552 or .A:553 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE209
4.031
ARG210
2.699
GLY256
4.781
ASN257
2.955
HIS377
3.344
ILE386
4.625
ASP387
2.968
GLU424
2.735
GLU425
3.262
PHE426
4.781
GLY427
3.276
LEU428
3.833
ASP453
2.941
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1 | PDB:6H7Z | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [18] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFK655 SNPIVLRMMN 665 DQLMFLERAF675 IDPLGLPDRP685 FYRHVIYAPS695 SHNKYAGESF705 PGIYDALFDI 715 ESKVDPSKAW725 GEVKRQIYVA735 AFTVQAAAET745 LSEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FVW or .FVW2 or .FVW3 or :3FVW;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:234 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:541 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
3.338
LYS207
3.181
VAL208
3.503
PHE209
3.933
ARG210
2.704
TYR234
4.498
GLY256
4.479
ASN257
2.840
ASP387
3.711
GLU424
3.119
GLU425
3.391
PHE426
4.890
GLY427
3.367
LEU428
3.666
ASP453
4.165
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-19-1 | PDB:6HKJ | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [18] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G8W or .G8W2 or .G8W3 or :3G8W;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:518 or .A:519 or .A:534 or .A:536 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
4.701
LYS207
2.647
VAL208
4.269
PHE209
3.963
ARG210
2.737
GLY256
4.528
ASN257
2.798
ASP387
3.587
GLU424
3.093
GLU425
3.446
PHE426
4.904
GLY427
3.388
LEU428
3.707
ASP453
4.126
|
|||||
| Ligand Name: (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1 | PDB:6HKZ | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [18] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETN544 KFSGYPLYHS554 VYETYELVEK 564 FYDPMFKYHL574 TVAQVRGGMV584 FELANSIVLP594 FDCRDYAVVL604 RKYADKIYSI 614 SMKHPQEMKT624 YSVSFDSLFS634 AVKNFTEIAS644 KFSERLQDFS656 NPIVLRMMND 666 QLMFLERAFI676 DPLGLPDRPF686 YRHVIYAPSS696 HNKYAGESFP706 GIYDALFDIE 716 SKVDPSKAWG726 EVKRQIYVAA736 FTVQAAAETL746 SEVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GBZ or .GBZ2 or .GBZ3 or :3GBZ;style chemicals stick;color identity;select .A:206 or .A:207 or .A:208 or .A:209 or .A:210 or .A:234 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:465 or .A:513 or .A:514 or .A:516 or .A:518 or .A:519 or .A:534 or .A:536 or .A:546 or .A:547 or .A:548 or .A:552 or .A:553 or .A:699 or .A:700 or .A:701; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY206
4.303
LYS207
3.920
VAL208
4.260
PHE209
4.087
ARG210
2.686
TYR234
4.229
GLY256
4.569
ASN257
2.815
ASP387
3.729
GLU424
3.155
GLU425
3.438
PHE426
4.860
GLY427
3.424
LEU428
3.647
ASP453
4.165
SER454
4.552
GLU457
3.972
|
|||||
| Ligand Name: 2'-Deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate) | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g | PDB:6RTI | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [29] |
| PDB Sequence |
HNMKAFLDEL
65 KAENIKKFLY75 NFTQIPHLAG85 TEQNFQLAKQ95 IQSQWKEFGL105 DSVELAHYDV 115 LLSYPNKTHP125 NYISIINEDG135 NEIFNTSLFE145 PPPPGYENVS155 DIVPPFSAFS 165 PQGMPEGDLV175 YVNYARTEDF185 FKLERDMKIN195 CSGKIVIARY205 GKVFRGNKVK 215 NAQLAGAKGV225 ILYSDPADYF235 APGVKSYPDG245 WNLPGGGVQR255 GNILNLNGAG 265 DPLTPGYPAN275 EYAYRRGIAE285 AVGLPSIPVH295 PIGYYDAQKL305 LEKMGGSAPP 315 DSSWRGSLKV325 PYNVGPGFTG335 NFSTQKVKMH345 IHSTNEVTRI355 YNVIGTLRGA 365 VEPDRYVILG375 GHRDSWVFGG385 IDPQSGAAVV395 HEIVRSFGTL405 KKEGWRPRRT 415 ILFASWDAEE425 FGLLGSTEWA435 EENSRLLQER445 GVAYINADSS455 IEGNYTLRVD 465 CTPLMYSLVH475 NLTKELKSPD485 EGFEGKSLYE495 SWTKKSPSPE505 FSGMPRISKL 515 GSGNDFEVFF525 QRLGIASGRA535 RYTKNWNKFS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFDKSN657 PIVLRMMNDQ 667 LMFLERAFID677 PLGLPDRPFY687 RHVIYAPSSH697 NKYAGESFPG707 IYDALFDIES 717 KVDPSKAWGE727 VKRQIYVAAF737 TVQAAAETLS747 EVA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CFZ or .CFZ2 or .CFZ3 or :3CFZ;style chemicals stick;color identity;select .A:315 or .A:316 or .A:317 or .A:318 or .A:605 or .A:609 or .A:610 or .A:612 or .A:613 or .A:616 or .A:619 or .A:620 or .A:622 or .A:623 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2'-Deoxy-2'-Fluorouridine 5'-(Dihydrogen Phosphate) | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g | PDB:6RTI | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [29] |
| PDB Sequence |
HNMKAFLDEL
65 KAENIKKFLY75 NFTQIPHLAG85 TEQNFQLAKQ95 IQSQWKEFGL105 DSVELAHYDV 115 LLSYPNKTHP125 NYISIINEDG135 NEIFNTSLFE145 PPPPGYENVS155 DIVPPFSAFS 165 PQGMPEGDLV175 YVNYARTEDF185 FKLERDMKIN195 CSGKIVIARY205 GKVFRGNKVK 215 NAQLAGAKGV225 ILYSDPADYF235 APGVKSYPDG245 WNLPGGGVQR255 GNILNLNGAG 265 DPLTPGYPAN275 EYAYRRGIAE285 AVGLPSIPVH295 PIGYYDAQKL305 LEKMGGSAPP 315 DSSWRGSLKV325 PYNVGPGFTG335 NFSTQKVKMH345 IHSTNEVTRI355 YNVIGTLRGA 365 VEPDRYVILG375 GHRDSWVFGG385 IDPQSGAAVV395 HEIVRSFGTL405 KKEGWRPRRT 415 ILFASWDAEE425 FGLLGSTEWA435 EENSRLLQER445 GVAYINADSS455 IEGNYTLRVD 465 CTPLMYSLVH475 NLTKELKSPD485 EGFEGKSLYE495 SWTKKSPSPE505 FSGMPRISKL 515 GSGNDFEVFF525 QRLGIASGRA535 RYTKNWNKFS547 GYPLYHSVYE557 TYELVEKFYD 567 PMFKYHLTVA577 QVRGGMVFEL587 ANSIVLPFDC597 RDYAVVLRKY607 ADKIYSISMK 617 HPQEMKTYSV627 SFDSLFSAVK637 NFTEIASKFS647 ERLQDFDKSN657 PIVLRMMNDQ 667 LMFLERAFID677 PLGLPDRPFY687 RHVIYAPSSH697 NKYAGESFPG707 IYDALFDIES 717 KVDPSKAWGE727 VKRQIYVAAF737 TVQAAAETLS747 EVA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UFT or .UFT2 or .UFT3 or :3UFT;style chemicals stick;color identity;select .A:317 or .A:320 or .A:321 or .A:322 or .A:612 or .A:613 or .A:616 or .A:619 or .A:620 or .A:623; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[(2~{r})-2-Carboxy-5-(Oxidanylamino)-5-Oxidanylidene-Pentyl]benzoic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242 | PDB:5ELY | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [30] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINEI138 FNTSLFEPPP148 PGYENVSDIV158 PPFSAFSPQG 168 MPEGDLVYVN178 YARTEDFFKL188 ERDMKINCSG198 KIVIARYGKV208 FRGNKVKNAQ 218 LAGAKGVILY228 SDPADYFAPG238 VKSYPDGWNL248 PGGGVQRGNI258 LNLNGAGDPL 268 TPGYPANEYA278 YRRGIAEAVG288 LPSIPVHPIG298 YYDAQKLLEK308 MGGSAPPDSS 318 WRGSLKVPYN328 VGPGFTGNFS338 TQKVKMHIHS348 TNEVTRIYNV358 IGTLRGAVEP 368 DRYVILGGHR378 DSWVFGGIDP388 QSGAAVVHEI398 VRSFGTLKKE408 GWRPRRTILF 418 ASWDAEEFGL428 LGSTEWAEEN438 SRLLQERGVA448 YINADSSIEG458 NYTLRVDCTP 468 LMYSLVHNLT478 KELKSPDEGF488 EGKSLYESWT498 KKSPSPEFSG508 MPRISKLGSG 518 NDFEVFFQRL528 GIASGRARYT538 KNWETGYPLY552 HSVYETYELV562 EKFYDPMFKY 572 HLTVAQVRGG582 MVFELANSIV592 LPFDCRDYAV602 VLRKYADKIY612 SISMKHPQEM 622 KTYSVSFDSL632 FSAVKNFTEI642 ASKFSERLQD652 FSNPIVLRMM664 NDQLMFLERA 674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNESFPGI708 YDALFDIESK718 VDPSKAWGEV 728 KRQIYVAAFT738 VQAAAETLSE748 VA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5PU or .5PU2 or .5PU3 or :35PU;style chemicals stick;color identity;select .A:206 or .A:234 or .A:254 or .A:377 or .A:387 or .A:424 or .A:425 or .A:453 or .A:457 or .A:517 or .A:518 or .A:519 or .A:534 or .A:548 or .A:549 or .A:552 or .A:553; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[(2~{s})-2-Carboxy-5-(Oxidanylamino)-5-Oxidanylidene-Pentyl]benzoic Acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241 | PDB:5D29 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [30] |
| PDB Sequence |
HNMKAFLDEL
65 KAENIKKFLY75 NFTQIPHLAG85 TEQNFQLAKQ95 IQSQWKEFGL105 DSVELAHYDV 115 LLSYPNKTHP125 NYISIINEDG135 NEIFNTSLFE145 PPPPGYENVS155 DIVPPFSAFS 165 PQGMPEGDLV175 YVNYARTEDF185 FKLERDMKIN195 CSGKIVIARY205 GKVFRGNKVK 215 NAQLAGAKGV225 ILYSDPADYF235 APGVKSYPDG245 WNLPGGGVQR255 GNILNLNGAG 265 DPLTPGYPAN275 EYAYRRGIAE285 AVGLPSIPVH295 PIGYYDAQKL305 LEKMGGSAPP 315 DSSWRGSLKV325 PYNVGPGFTG335 NFSTQKVKMH345 IHSTNEVTRI355 YNVIGTLRGA 365 VEPDRYVILG375 GHRDSWVFGG385 IDPQSGAAVV395 HEIVRSFGTL405 KKEGWRPRRT 415 ILFASWDAEE425 FGLLGSTEWA435 EENSRLLQER445 GVAYINADSS455 IEGNYTLRVD 465 CTPLMYSLVH475 NLTKELKSPD485 EGFEGKSLYE495 SWTKKSPSPE505 FSGMPRISKL 515 GSGNDFEVFF525 QRLGIASGRA535 RYTKNWGYPL551 YHSVYETYEL561 VEKFYDPMFK 571 YHLTVAQVRG581 GMVFELANSI591 VLPFDCRDYA601 VVLRKYADKI611 YSISMKHPQE 621 MKTYSVSFDS631 LFSAVKNFTE641 IASKFSERLQ651 DFNPIVLRMM664 NDQLMFLERA 674 FIDPLGLPDR684 PFYRHVIYAP694 SSHNKYAGES704 FPGIYDALFD714 IESKVDPSKA 724 WGEVKRQIYV734 AAFTVQAAAE744 TLSEVA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5Q1 or .5Q12 or .5Q13 or :35Q1;style chemicals stick;color identity;select .A:206 or .A:234 or .A:254 or .A:377 or .A:387 or .A:424 or .A:425 or .A:453 or .A:454 or .A:457 or .A:518 or .A:519 or .A:534 or .A:548 or .A:549 or .A:552 or .A:553 or .A:700; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (S)-2-(3-((S)-1-carboxy-5-(1,2-dicarba-closo-dodecarboranylamido) pentyl)ureido)pentanedioic acid | Ligand Info | |||||
| Structure Description | X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety | PDB:4OME | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [31] |
| PDB Sequence |
KHNMKAFLDE
64 LKAENIKKFL74 YNFTQIPHLA84 GTEQNFQLAK94 QIQSQWKEFG104 LDSVELAHYD 114 VLLSYPNKTH124 PNYISIINED134 GNEIFNTSLF144 EPPPPGYENV154 SDIVPPFSAF 164 SPQGMPEGDL174 VYVNYARTED184 FFKLERDMKI194 NCSGKIVIAR204 YGKVFRGNKV 214 KNAQLAGAKG224 VILYSDPADY234 FAPGVKSYPD244 GWNLPGGGVQ254 RGNILNLNGA 264 GDPLTPGYPA274 NEYAYRRGIA284 EAVGLPSIPV294 HPIGYYDAQK304 LLEKMGGSAP 314 PDSSWRGSLK324 VPYNVGPGFT334 GNFSTQKVKM344 HIHSTNEVTR354 IYNVIGTLRG 364 AVEPDRYVIL374 GGHRDSWVFG384 GIDPQSGAAV394 VHEIVRSFGT404 LKKEGWRPRR 414 TILFASWDAE424 EFGLLGSTEW434 AEENSRLLQE444 RGVAYINADS454 SIEGNYTLRV 464 DCTPLMYSLV474 HNLTKELKSP484 DEGFEGKSLY494 ESWTKKSPSP504 EFSGMPRISK 514 LGSGNDFEVF524 FQRLGIASGR534 ARYTKNWETF546 SGYPLYHSVY556 ETYELVEKFY 566 DPMFKYHLTV576 AQVRGGMVFE586 LANSIVLPFD596 CRDYAVVLRK606 YADKIYSISM 616 KHPQEMKTYS626 VSFDSLFSAV636 KNFTEIASKF646 SERLQDFSNP658 IVLRMMNDQL 668 MFLERAFIDP678 LGLPDRPFYR688 HVIYAPSSHN698 KYAGESFPGI708 YDALFDIESK 718 VDPSKAWGEV728 KRQIYVAAFT738 VQAAAETLSE748 VA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DGQ or .DGQ2 or .DGQ3 or :3DGQ;style chemicals stick;color identity;select .A:207 or .A:208 or .A:209 or .A:210 or .A:256 or .A:257 or .A:387 or .A:424 or .A:425 or .A:426 or .A:427 or .A:428 or .A:453 or .A:454 or .A:457 or .A:463 or .A:518 or .A:519 or .A:534 or .A:536 or .A:541 or .A:547 or .A:548 or .A:552 or .A:553 or .A:698 or .A:699 or .A:700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS207
3.256
VAL208
4.551
PHE209
3.881
ARG210
2.656
GLY256
4.471
ASN257
2.956
ASP387
3.686
GLU424
2.922
GLU425
3.462
PHE426
4.865
GLY427
3.374
LEU428
3.608
ASP453
4.026
SER454
4.458
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural and biochemical characterization of the folyl-poly-Gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II. FEBS J. 2014 Jul;281(14):3228-42. | ||||
| REF 2 | Glutamate Carboxypeptidase II | ||||
| REF 3 | Efficient and versatile one-step affinity purification of in vivo biotinylated proteins: expression, characterization and structure analysis of recombinant human glutamate carboxypeptidase II. Protein Expr Purif. 2012 Mar;82(1):106-15. | ||||
| REF 4 | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg Med Chem. 2014 Aug 1;22(15):4099-108. | ||||
| REF 5 | Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities. FEBS J. 2016 Jul;283(13):2528-45. | ||||
| REF 6 | Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II. J Med Chem. 2015 May 28;58(10):4357-63. | ||||
| REF 7 | Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs. J Mol Biol. 2008 Mar 7;376(5):1438-50. | ||||
| REF 8 | Interactions between human glutamate carboxypeptidase II and urea-based inhibitors: structural characterization. J Med Chem. 2008 Dec 25;51(24):7737-43. | ||||
| REF 9 | A remote arene-binding site on prostate specific membrane antigen revealed by antibody-recruiting small molecules. J Am Chem Soc. 2010 Sep 15;132(36):12711-6. | ||||
| REF 10 | Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II. J Med Chem. 2007 Jul 12;50(14):3267-73. | ||||
| REF 11 | Novel substrate-based inhibitors of human glutamate carboxypeptidase II with enhanced lipophilicity. J Med Chem. 2011 Nov 10;54(21):7535-46. | ||||
| REF 12 | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II. Bioorg Med Chem Lett. 2014 May 15;24(10):2340-5. | ||||
| REF 13 | A high affinity 18F-labeled phosphoramidate peptidomimetic inhibitor as a PSMA-targeted PET imaging agent for prostate cancer | ||||
| REF 14 | Structure-Activity Relationship of (18)F-Labeled Phosphoramidate Peptidomimetic Prostate-Specific Membrane Antigen (PSMA)-Targeted Inhibitor Analogues for PET Imaging of Prostate Cancer. J Med Chem. 2016 Jun 23;59(12):5684-94. | ||||
| REF 15 | A high affinity 18F-labeled phosphoramidate peptidomimetic inhibitor as a PSMA-targeted PET imaging agent for prostate cancer | ||||
| REF 16 | Bioisosterism of urea-based GCPII inhibitors: Synthesis and structure-activity relationship studies. Bioorg Med Chem Lett. 2010 Jan 1;20(1):392-7. | ||||
| REF 17 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1007 | ||||
| REF 18 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. ACS Med Chem Lett. 2018 Oct 24;9(11):1099-1104. | ||||
| REF 19 | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg Med Chem. 2019 Jan 15;27(2):255-264. | ||||
| REF 20 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1027 | ||||
| REF 21 | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp | ||||
| REF 22 | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | ||||
| REF 23 | Aryl glutamyl sulfamides as inhibitors of Glutamate Carboxypeptidase II (GCPII) | ||||
| REF 24 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1023 | ||||
| REF 25 | Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities. FEBS J. 2016 Jan;283(1):130-43. | ||||
| REF 26 | A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging. Nat Commun. 2021 Sep 15;12(1):5460. | ||||
| REF 27 | Novel beta- and Gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. J Med Chem. 2020 Mar 26;63(6):3261-3273. | ||||
| REF 28 | Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer. EMBO J. 2006 Mar 22;25(6):1375-84. | ||||
| REF 29 | Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer. Nucleic Acids Res. 2020 Nov 4;48(19):11130-11145. | ||||
| REF 30 | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity. J Med Chem. 2016 May 26;59(10):4539-50. | ||||
| REF 31 | X-ray structure of human glutamate carboxypeptidase II in complex with DCCBL, a urea based inhibitor with distal carborane moiety | ||||
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