Attributes
UniProt ID
Protein Name
Cyclohexane-1,2-dione hydrolase
Ligand Name
THIAMINE DIPHOSPHATE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AYEKOFBPNLCAJY-UHFFFAOYSA-O
SMILES
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4D5E
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Color Legend
Unassigned regionsLigand / hetero atomse4d5eA1e4d5eA2e4d5eA3e4d5eB1e4d5eB2e4d5eB3
ECOD domains from experimental PDB structures interacting with ligand TPP
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0CH62 | n/a | TPP | 4d5e | e4d5eA1 | A:2-185 |
| P0CH62 | n/a | TPP | 4d5e | e4d5eA3 | A:371-587 |
| P0CH62 | n/a | TPP | 4d5e | e4d5eB1 | B:2-185 |
| P0CH62 | n/a | TPP | 4d5e | e4d5eB2 | B:371-567 |
| P0CH62 | n/a | TPP | 4d5g | e4d5gA2 | A:2-185 |
| P0CH62 | n/a | TPP | 4d5g | e4d5gA3 | A:371-587 |
| P0CH62 | n/a | TPP | 4d5g | e4d5gB1 | B:2-185 |
| P0CH62 | n/a | TPP | 4d5g | e4d5gB2 | B:371-567 |