Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T17221 | Target Info | |||
Target Name | Glutathione S-transferase A1 (GSTA1) | ||||
Synonyms | GTH1; GSTA1-1; GST-epsilon; GST class-alpha member 1; GST HA subunit 1; Androst-5-ene-3,17-dione isomerase; 13-hydroperoxyoctadecadienoate peroxidase | ||||
Target Type | Literature-reported Target | ||||
Gene Name | GSTA1 | ||||
UniProt ID |
Ligand General Information | Top | ||||
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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 | |||||
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PDB ID: 1PL1 Crystal structure of human glutathione transferase (GST) A1-1 in complex with a decarboxy-glutathione | ||||||
Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [1] |
PDB Sequence |
AEKPKLHYFN
11 ARGRMESTRW21 LLAAAGVEFE31 EKFIKSAEDL41 DKLRNDGYLM51 FQQVPMVEID 61 GMKLVQTRAI71 LNYIASKYNL81 YGKDIKERAL91 IDMYIEGIAD101 LGEMILLLPV 111 PPEEKDAKLA122 LIKEKIKNRY132 FPAFEKVLKS142 HGQDYLVGNK152 LSRADIHLVE 162 LLYYVEELDS172 SLISSFPLLK182 ALKTRISNLP192 TVKKFLQPGS202 PRKPPMDEKS 212 LEEARKIFRF222
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PDB ID: 1PL2 Crystal structure of human glutathione transferase (GST) A1-1 T68E mutant in complex with decarboxy-glutathione | ||||||
Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [1] |
PDB Sequence |
AEKPKLHYFN
11 ARGRMESTRW21 LLAAAGVEFE31 EKFIKSAEDL41 DKLRNDGYLM51 FQQVPMVEID 61 GMKLVQERAI71 LNYIASKYNL81 YGKDIKERAL91 IDMYIEGIAD101 LGEMILLLPV 111 PPEEKDAKLA122 LIKEKIKNRY132 FPAFEKVLKS142 HGQDYLVGNK152 LSRADIHLVE 162 LLYYVEELDS172 SLISSFPLLK182 ALKTRISNLP192 TVKKFLQPGS202 PRKPPMDEKS 212 LEEARKIFRF222
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PDB ID: 1PKW Crystal structure of human glutathione transferase (GST) A1-1 in complex with glutathione | ||||||
Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
PDB Sequence |
AEKPKLHYFN
11 ARGRMESTRW21 LLAAAGVEFE31 EKFIKSAEDL41 DKLRNDGYLM51 FQQVPMVEID 61 GMKLVQTRAI71 LNYIASKYNL81 YGKDIKERAL91 IDMYIEGIAD101 LGEMILLLPV 111 PPEEKDAKLA122 LIKEKIKNRY132 FPAFEKVLKS142 HGQDYLVGNK152 LSRADIHLVE 162 LLYYVEELDS172 SLISSFPLLK182 ALKTRISNLP192 TVKKFLQPGS202 PRKPPMDEKS 212 LEEARKIFRF222
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PDB ID: 1PKZ Crystal structure of human glutathione transferase (GST) A1-1 | ||||||
Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
PDB Sequence |
AEKPKLHYFN
11 ARGRMESTRW21 LLAAAGVEFE31 EKFIKSAEDL41 DKLRNDGYLM51 FQQVPMVEID 61 GMKLVQTRAI71 LNYIASKYNL81 YGKDIKERAL91 IDMYIEGIAD101 LGEMILLLPV 111 PPEEKDAKLA122 LIKEKIKNRY132 FPAFEKVLKS142 HGQDYLVGNK152 LSRADIHLVE 162 LLYYVEELDS172 SLISSFPLLK182 ALKTRISNLP192 TVKKFLQPGS202 PRKPPMDEKS 212 LEE
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Click to Show 3D Structure of This Binding Site
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References | Top | ||||
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REF 1 | New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix. Acta Crystallogr D Biol Crystallogr. 2006 Feb;62(Pt 2):197-207. |
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