Attributes
UniProt ID
Protein Name
Ketol-acid reductoisomerase
Ligand Name
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6AQJ
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Color Legend
Unassigned regionsLigand / hetero atomse6aqjA1e6aqjA2e6aqjB1e6aqjB2
ECOD domains from experimental PDB structures interacting with ligand DB02338
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q2YUF3 | DB02338 | NDP | 6aqj | e6aqjA1 | A:2-182 |
| Q2YUF3 | DB02338 | NDP | 6aqj | e6aqjA2 | A:183-327 |
| Q2YUF3 | DB02338 | NDP | 6aqj | e6aqjB1 | B:2-182 |
| Q2YUF3 | DB02338 | NDP | 6aqj | e6aqjB2 | B:183-327 |
| Q2YUF3 | DB02338 | NDP | 6c5n | e6c5nA1 | A:183-327 |
| Q2YUF3 | DB02338 | NDP | 6c5n | e6c5nA2 | A:2-182 |
| Q2YUF3 | DB02338 | NDP | 6c5n | e6c5nB1 | B:2-182 |
| Q2YUF3 | DB02338 | NDP | 6c5n | e6c5nB2 | B:183-327 |