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 | 2-Amino-5-[1-(carboxylatomethylcarbamoyl)-2-nitrososulfanyl-ethyl]amino-5-oxo-pentanoate | Ligand Info | |||
| Canonical SMILES | C(CC(=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O-])N | ||||
| InChI | 1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1 | ||||
| InChIKey | HYHSBSXUHZOYLX-WDSKDSINSA-L | ||||
| PubChem Compound ID | 6857718 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2A2R Crystal Structure of Glutathione Transferase Pi in complex with S-nitrosoglutathione | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [1] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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| PDB ID: 2A2S Crystal Structure of Human Glutathione Transferase in complex with S-nitrosoglutathione in the absence of reducing agent | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
MPPYTVVYFP
9 VRGRCAALRM19 LLADQGQSWK29 EEVVTVETWQ39 EGSLKASCLY49 GQLPKFQDGD 59 LTLYQSNTIL69 RHLGRTLGLY79 GKDQQEAALV89 DMVNDGVEDL99 RCKYISLIYT 109 NYEAGKDDYV119 KALPGQLKPF129 ETLLSQNQGG139 KTFIVGDQIS149 FADYNLLDLL 159 LIHEVLAPGC169 LDAFPLLSAY179 VGRLSARPKL189 KAFLASPEYV199 NLPINGNGKQ 209
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1. Protein Sci. 2006 May;15(5):1093-105. | ||||
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