Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T54316 | Target Info | |||
| Target Name | Glucose-6-phosphate isomerase (GPI) | ||||
| Synonyms | Sperm antigen 36; SA-36; Phosphohexose isomerase; Phosphoglucose isomerase; PHI; PGI; Neuroleukin; NLK; GPI; Autocrine motility factor; AMF | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | GPI | ||||
| Biochemical Class | Intramolecular oxidoreductases | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Erythose-4-phosphate | Ligand Info | |||||
| Structure Description | Crystal structure of human autocrine motility factor complexed with an inhibitor | PDB:1IRI | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
MAALTRDPQF
10 QKLQQWYREH20 RSELNLRRLF30 DANKDRFNHF40 SLTLNTNHGH50 ILVDYSKNLV 60 TEDVMRMLVD70 LAKSRGVEAA80 RERMFNGEKI90 NYTEGRAVLH100 VALRNRSNTP 110 ILVDGKDVMP120 EVNKVLDKMK130 SFCQRVRSGD140 WKGYTGKTIT150 DVINIGIGGS 160 DLGPLMVTEA170 LKPYSSGGPR180 VWYVSNIDGT190 HIAKTLAQLN200 PESSLFIIAS 210 KTFTTQETIT220 NAETAKEWFL230 QAAKDPSAVA240 KHFVALSTNT250 TKVKEFGIDP 260 QNMFEFWDWV270 GGRYSLWSAI280 GLSIALHVGF290 DNFEQLLSGA300 HWMDQHFRTT 310 PLEKNAPVLL320 ALLGIWYINC330 FGCETHAMLP340 YDQYLHRFAA350 YFQQGDMESN 360 GKYITKSGTR370 VDHQTGPIVW380 GEPGTNGQHA390 FYQLIHQGTK400 MIPCDFLIPV 410 QTQHPIRKGL420 HHKILLANFL430 AQTEALMRGK440 STEEARKELQ450 AAGKSPEDLE 460 RLLPHKVFEG470 NRPTNSIVFT480 KLTPFMLGAL490 VAMYEHKIFV500 QGIIWDINSF 510 DQWGVELGKQ520 LAKKIEPELD530 GSAQVTSHDA540 STNGLINFIK550 QQREARV |
|||||
|
|
||||||
| Ligand Name: 2,5,8,11,14,17-Hexaoxaoctadecane | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphoglucose isomerase in complex with inhibitor | PDB:6XUI | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [2] |
| PDB Sequence |
AALTRDPQFQ
10 KLQQWYREHR20 SELNLRRLFD30 ANKDRFNHFS40 LTLNTNHGHI50 LVDYSKNLVT 60 EDVMRMLVDL70 AKSRGVEAAR80 ERMFNGEKIN90 YTEGRAVLHV100 ALRNRSNTPI 110 LVDGKDVMPE120 VNKVLDKMKS130 FCQRVRSGDW140 KGYTGKTITD150 VINIGIGGSD 160 LGPLMVTEAL170 KPYSSGGPRV180 WYVSNIDGTH190 IAKTLAQLNP200 ESSLFIIASK 210 TFTTQETITN220 AETAKEWFLQ230 AAKDPSAVAK240 HFVALSTNTT250 KVKEFGIDPQ 260 NMFEFWDWVG270 GRYSLWSAIG280 LSIALHVGFD290 NFEQLLSGAH300 WMDQHFRTTP 310 LEKNAPVLLA320 LLGIWYINCF330 GCETHAMLPY340 DQYLHRFAAY350 FQQGDMESNG 360 KYITKSGTRV370 DHQTGPIVWG380 EPGTNGQHAF390 YQLIHQGTKM400 IPCDFLIPVQ 410 TQHPIRKGLH420 HKILLANFLA430 QTEALMRGKS440 TEEARKELQA450 AGKSPEDLER 460 LLPHKVFEGN470 RPTNSIVFTK480 LTPFMLGALV490 AMYEHKIFVQ500 GIIWDINSFD 510 QWGVELGKQL520 AKKIEPELDG530 SAQVTSHDAS540 TNGLINFIKQ550 QREARV |
|||||
|
|
||||||
| Ligand Name: 5-Phosphoarabinonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human phosphoglucose isomerase in complex with inhibitor | PDB:6XUI | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [2] |
| PDB Sequence |
AALTRDPQFQ
10 KLQQWYREHR20 SELNLRRLFD30 ANKDRFNHFS40 LTLNTNHGHI50 LVDYSKNLVT 60 EDVMRMLVDL70 AKSRGVEAAR80 ERMFNGEKIN90 YTEGRAVLHV100 ALRNRSNTPI 110 LVDGKDVMPE120 VNKVLDKMKS130 FCQRVRSGDW140 KGYTGKTITD150 VINIGIGGSD 160 LGPLMVTEAL170 KPYSSGGPRV180 WYVSNIDGTH190 IAKTLAQLNP200 ESSLFIIASK 210 TFTTQETITN220 AETAKEWFLQ230 AAKDPSAVAK240 HFVALSTNTT250 KVKEFGIDPQ 260 NMFEFWDWVG270 GRYSLWSAIG280 LSIALHVGFD290 NFEQLLSGAH300 WMDQHFRTTP 310 LEKNAPVLLA320 LLGIWYINCF330 GCETHAMLPY340 DQYLHRFAAY350 FQQGDMESNG 360 KYITKSGTRV370 DHQTGPIVWG380 EPGTNGQHAF390 YQLIHQGTKM400 IPCDFLIPVQ 410 TQHPIRKGLH420 HKILLANFLA430 QTEALMRGKS440 TEEARKELQA450 AGKSPEDLER 460 LLPHKVFEGN470 RPTNSIVFTK480 LTPFMLGALV490 AMYEHKIFVQ500 GIIWDINSFD 510 QWGVELGKQL520 AKKIEPELDG530 SAQVTSHDAS540 TNGLINFIKQ550 QREARV |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PA5 or .PA52 or .PA53 or :3PA5;style chemicals stick;color identity;select .A:156 or .A:157 or .A:158 or .A:159 or .A:208 or .A:209 or .A:210 or .A:211 or .A:212 or .A:214 or .A:217 or .A:271 or .A:272 or .A:353 or .A:357 or .A:511 or .A:514 or .A:515 or .A:518; 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 | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Inhibition mechanism of cytokine activity of human autocrine motility factor examined by crystal structure analyses and site-directed mutagenesis studies. J Mol Biol. 2002 May 10;318(4):985-97. | ||||
| REF 2 | Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies. Bioorg Chem. 2020 Sep;102:104048. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.