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: 4Y4M
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Color Legend
Unassigned regionsLigand / hetero atomse4y4mA1e4y4mB1e4y4mC1e4y4mD1e4y4mE1e4y4mF1e4y4mG1e4y4mH1
ECOD domains from experimental PDB structures interacting with ligand 48F
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q58018 | n/a | 48F | 4y4m | e4y4mA1 | A:5-264 |
| Q58018 | n/a | 48F | 4y4m | e4y4mB1 | B:10-265 |
| Q58018 | n/a | 48F | 4y4m | e4y4mC1 | C:10-264 |
| Q58018 | n/a | 48F | 4y4m | e4y4mD1 | D:10-264 |
| Q58018 | n/a | 48F | 4y4m | e4y4mE1 | E:10-265 |
| Q58018 | n/a | 48F | 4y4m | e4y4mF1 | F:4-265 |
| Q58018 | n/a | 48F | 4y4m | e4y4mG1 | G:4-265 |
| Q58018 | n/a | 48F | 4y4m | e4y4mH1 | H:6-264 |