Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T21669 | Target Info | |||
| Target Name | Glutathione S-transferase P (GSTP1) | ||||
| Synonyms | GSTP11; GSTP1-1; GST3; GST classpi; GST class-pi; FAEES3 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GSTP1 | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cysteine Sulfenic Acid | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SO | ||||
| InChI | 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
| InChIKey | FXIRVRPOOYSARH-REOHCLBHSA-N | ||||
| PubChem Compound ID | 165339 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5DAL Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [1] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRAALRML20 LADQGQSWKE30 EVVTVETWQE40 GSLKASCLYG50 QLPKFQDGDL 60 TLYQSNTILR70 HLGRTLGLYG80 KDQQEAALVD90 MVNDGVEDLR100 CKYISLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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| PDB ID: 4PGT CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RKYVSLIYTN 110 YEAGKDDYVK120 ALPGQLKPFE130 TLLSQNQGGK140 TFIVGDQISF150 ADYNLLDLLL 160 IHEVLAPGCL170 DAFPLLSAYV180 GRLSARPKLK190 AFLASPEYVN200 LPINGNGKQ |
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| PDB ID: 5DAK Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the absence of Glutathione | ||||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [3] |
| PDB Sequence |
PPYTVVYFPV
10 RGRAALRMLL21 ADQGQSWKEE31 VVTQLPKFQD57 GDLTLYQSNT67 ILRHLGRTLG 77 LYGKDQQEAA87 LVDMVNDGVE97 DLRCKYISLI107 YTNYEAGKDD117 YVKALPGQLK 127 PFETLLSQNQ137 GGKTFIVGDQ147 ISFADYNLLD157 LLLIHEVLAP167 GCLDAFPLLS 177 AYVGRLSARP187 KLKAFLASPE197 YVNLPINGNG207 KQ
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics | ||||
| REF 2 | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1. Biochemistry. 1999 Aug 10;38(32):10231-8. | ||||
| REF 3 | Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics | ||||
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