Target Binding Site Detail
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 |
Ligand General Information | Top | ||||
---|---|---|---|---|---|
Ligand Name | (2s)-2-(Phosphonomethyl)pentanedioic Acid | Ligand Info | |||
Canonical SMILES | C(CC(=O)O)C(CP(=O)(O)O)C(=O)O | ||||
InChI | 1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1 | ||||
InChIKey | ISEYJGQFXSTPMQ-SCSAIBSYSA-N | ||||
PubChem Compound ID | 11085481 |
Drug Binding Sites of Target | Top | |||||
---|---|---|---|---|---|---|
PDB ID: 3RBU N-terminally AviTEV-tagged Human Glutamate Carboxypeptidase II in complex with 2-PMPA | ||||||
Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [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 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
|
|||||
|
||||||
PDB ID: 2PVW A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with 2-(phosphonomethyl)pentanedioic acid (2-PMPA) | ||||||
Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | No | [2] |
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 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
|
|||||
|
||||||
PDB ID: 2JBJ membrane-bound glutamate carboxypeptidase II (GCPII) in complex with 2-PMPA (2-phosphonoMethyl-pentanedioic acid) | ||||||
Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [3] |
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
|
|||||
|
PHE209
4.266
ARG210
2.447
GLY256
4.529
ASN257
2.851
HIS377
3.290
TRP381
4.989
ASP387
2.965
GLU424
2.703
GLU425
3.239
PHE426
4.694
|
|||||
PDB ID: 6RTI X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g | ||||||
Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
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 .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:381 or .A:387 or .A:424 or .A:425 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
|
References | Top | ||||
---|---|---|---|---|---|
REF 1 | 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 2 | Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II. J Med Chem. 2007 Jul 12;50(14):3267-73. | ||||
REF 3 | Human glutamate carboxypeptidase II inhibition: structures of GCPII in complex with two potent inhibitors, quisqualate and 2-PMPA. Acta Crystallogr D Biol Crystallogr. 2007 Apr;63(Pt 4):508-13. | ||||
REF 4 | Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer. Nucleic Acids Res. 2020 Nov 4;48(19):11130-11145. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.