Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-Hydroxyethyl disulfide | Ligand Info | |||
| Canonical SMILES | C(CSSCCO)O | ||||
| InChI | 1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2 | ||||
| InChIKey | KYNFOMQIXZUKRK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 15906 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| 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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| References | Top | ||||
|---|---|---|---|---|---|
| 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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