Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T85616 | Target Info | |||
| Target Name | Thioredoxin (TXN) | ||||
| Synonyms | Trx; TRX1; TRDX; Surface-associated sulphydryl protein; Surface associated sulphydryl protein; SASP; ATL-derived factor; ADF | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TXN | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-Mercaptoethanesulfonic acid | Ligand Info | |||
| Canonical SMILES | C(CS(=O)(=O)O)S | ||||
| InChI | 1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5) | ||||
| InChIKey | ZNEWHQLOPFWXOF-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 598 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4POM Crystal structures of thioredoxin with mesna at 1.85A resolution | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
GTMVKQIESK
8 TAFQKALKAA18 GDKLVVVDFS28 ATWCGPCKMI38 KPFFHSLSEK48 YSNVIFLEVD 58 VDDCQDVASE68 CEVKCMPTFQ78 FFKKGQKVGE88 FSGANKKKLE98 ATINKLV |
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| PDB ID: 4POK Crystal structures of thioredoxin with mesna at 2.5A resolution | ||||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | Yes | [2] |
| PDB Sequence |
TMVKQIESKT
9 AFQKALKAAG19 DKLVVVDFSA29 TWCGPCKMIK39 PFFHSLSEKY49 SNVIFLEVDV 59 DDCQDVASEC69 EVKCMPTFQF79 FKKGQKVGEF89 SGANKKKLEA99 TINKLV |
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| PDB ID: 4POL Crystal structures of thioredoxin with mesna at 2.8A resolution | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [3] |
| PDB Sequence |
TMVKQIESKT
9 AFQKALKAAG19 DKLVVVDFSA29 TWCGPCKMIK39 PFFHSLSEKY49 SNVIFLEVDV 59 DDCQDVASEC69 EVKCMPTFQF79 FKKGQKVGEF89 SGANKKKLEA99 TINKLV |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | BNP7787 Forms Novel Covalent | ||||
| REF 2 | BNP7787 Forms Novel Covalent | ||||
| REF 3 | BNP7787 Forms Novel Covalent | ||||
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