Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T42976 | Target Info | |||
| Target Name | Glutathione S-transferase A3 (GSTA3) | ||||
| Synonyms | Glutathione S-transferase A3-3; GST class-alpha member 3 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | GSTA3 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Glutathione | Ligand Info | |||
| Canonical SMILES | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N | ||||
| InChI | 1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 | ||||
| InChIKey | RWSXRVCMGQZWBV-WDSKDSINSA-N | ||||
| PubChem Compound ID | 124886 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2VCV Glutathione transferase A3-3 in complex with glutathione and delta-4- androstene-3-17-dione | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
KPKLHYFNGR
13 GRMEPIRWLL23 AAAGVEFEEK33 FIGSAEDLGK43 LRNDGSLMFQ53 QVPMVEIDGM 63 KLVQTRAILN73 YIASKYNLYG83 KDIKERALID93 MYTEGMADLN103 EMILLLPLCR 113 PEEKDAKIAL123 IKEKTKSRYF133 PAFEKVLQSH143 GQDYLVGNKL153 SRADISLVEL 163 LYYVEELDSS173 LISNFPLLKA183 LKTRISNLPT193 VKKFLQPGSP203 RKPPADAKAL 213 EEARKIFRF
|
|||||
|
|
||||||
| PDB ID: 1TDI Crystal Structure of hGSTA3-3 in Complex with Glutathione | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
KPKLHYFNGR
13 GRMEPIRWLL23 AAAGVEFEEK33 FIGSAEDLGK43 LRNDGSLMFQ53 QVPMVEIDGM 63 KLVQTRAILN73 YIASKYNLYG83 KDIKERALID93 MYTEGMADLN103 EMILLLPLCR 113 PEEKDAKIAL123 IKEKTKSRYF133 PAFEKVLQSH143 GQDYLVGNKL153 SRADISLVEL 163 LYYVEELDSS173 LISNFPLLKA183 LKTRISNLPT193 VKKFLQPGSP203 RKPPADAKAL 213 EEARKIFR
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for featuring of steroid isomerase activity in alpha class glutathione transferases. J Mol Biol. 2010 Mar 19;397(1):332-40. | ||||
| REF 2 | Crystal structure of human glutathione S-transferase A3-3 and mechanistic implications for its high steroid isomerase activity. Biochemistry. 2004 Dec 21;43(50):15673-9. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.