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 | CID 6971145 | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)[O-])[NH3+])N1C(=O)NC(=O)O1 | ||||
| InChI | 1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 | ||||
| InChIKey | ASNFTDCKZKHJSW-REOHCLBHSA-N | ||||
| PubChem Compound ID | 6971145 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2OR4 A high resolution crystal structure of human glutamate carboxypeptidase II in complex with quisqualic acid | ||||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [1] |
| 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
|
|||||
|
|
||||||
| PDB ID: 2JBK membrane-bound glutamate carboxypeptidase II (GCPII) in complex with quisqualic acid (quisqualate, alpha-amino-3,5-dioxo-1,2,4- oxadiazolidine-2-propanoic acid) | ||||||
| Method | X-ray diffraction | Resolution | 2.99 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
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II. J Med Chem. 2007 Jul 12;50(14):3267-73. | ||||
| REF 2 | 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. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.