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 | Ethacrynic acid | Ligand Info | |||
Canonical SMILES | CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl | ||||
InChI | 1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) | ||||
InChIKey | AVOLMBLBETYQHX-UHFFFAOYSA-N | ||||
PubChem Compound ID | 3278 |
Drug Binding Sites of Target | Top | |||||
---|---|---|---|---|---|---|
PDB ID: 1GSE GLUTATHIONE TRANSFERASE A1-1 COMPLEXED WITH AN ETHACRYNIC ACID GLUTATHIONE CONJUGATE (MUTANT R15K) | ||||||
Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
PDB Sequence |
AEKPKLHYFN
11 ARGKMESTRW21 LLAAAGVEFE31 EKFIKSAEDL41 DKLRNDGYLM51 FQQVPMVEID 61 GMKLVQTRAI71 LNYIASKYNL81 YGKDIKERAL91 IDMYIEGIAD101 LGEMILLLPV 111 CPPEEKDAKL121 ALIKEKIKNR131 YFPAFEKVLK141 SHGQDYLVGN151 KLSRADIHLV 161 ELLYYVEELD171 SSLISSFPLL181 KALKTRISNL191 PTVKKFLQPG201 SPRKPPMDEK 211 SLEEARKIFR221 F
|
|||||
|
||||||
PDB ID: 1GSF GLUTATHIONE TRANSFERASE A1-1 COMPLEXED WITH ETHACRYNIC ACID | ||||||
Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
PDB Sequence |
AEKPKLHYFN
11 ARGRMESTRW21 LLAAAGVEFE31 EKFIKSAEDL41 DKLRNDGYLM51 FQQVPMVEID 61 GMKLVQTRAI71 LNYIASKYNL81 YGKDIKERAL91 IDMYIEGIAD101 LGEMILLLPV 111 CPPEEKDAKL121 ALIKEKIKNR131 YFPAFEKVLK141 SHGQDYLVGN151 KLSRADIHLV 161 ELLYYVEELD171 SSLISSFPLL181 KALKTRISNL191 PTVKKFLQPG201 SPRKPPMDEK 211 SLEEARKIFR221 F
|
|||||
|
References | Top | ||||
---|---|---|---|---|---|
REF 1 | Structural analysis of human alpha-class glutathione transferase A1-1 in the apo-form and in complexes with ethacrynic acid and its glutathione conjugate. Structure. 1995 Jul 15;3(7):717-27. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.