Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 5-Phosphoarabinonic acid | Ligand Info | |||
| Canonical SMILES | C(C(C(C(C(=O)O)O)O)O)OP(=O)(O)O | ||||
| InChI | 1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1 | ||||
| InChIKey | HNECGPFIYSOYHF-JJYYJPOSSA-N | ||||
| PubChem Compound ID | 191445 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1NUH The crystal structure of human phosphoglucose isomerase complexed with 5-phosphoarabinonate | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [1] |
| 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 QREAR |
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| PDB ID: 6XUI Crystal structure of human phosphoglucose isomerase in complex with inhibitor | ||||||
| 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 |
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| PDB ID: 6XUH Crystal structure of human phosphoglucose isomerase in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.38 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 |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The structure of human phosphoglucose isomerase complexed with a transition-state analogue. Acta Crystallogr D Biol Crystallogr. 2003 Jun;59(Pt 6):1111-3. | ||||
| 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. | ||||
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