Attributes
UniProt ID
Protein Name
Thiamine thiazole synthase
Ligand Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HMVGRTYSZXZGQZ-GHVQHMAVSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(C(=O)CO)O)O)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6HK1
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Color Legend
Unassigned regionsLigand / hetero atomse6hk1A1e6hk1B1e6hk1C1e6hk1D1e6hk1E1e6hk1F1
ECOD domains from experimental PDB structures interacting with ligand 48F
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A5H1ZR31 | n/a | 48F | 6hk1 | e6hk1A1 | A:1-261 |
| A0A5H1ZR31 | n/a | 48F | 6hk1 | e6hk1B1 | B:4-261 |
| A0A5H1ZR31 | n/a | 48F | 6hk1 | e6hk1C1 | C:4-260 |
| A0A5H1ZR31 | n/a | 48F | 6hk1 | e6hk1D1 | D:1-261 |
| A0A5H1ZR31 | n/a | 48F | 6hk1 | e6hk1E1 | E:1-261 |
| A0A5H1ZR31 | n/a | 48F | 6hk1 | e6hk1F1 | F:3-260 |