Attributes
UniProt ID
Protein Name
Nitroalkane oxidase
Ligand Name
nitroethane
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MCSAJNNLRCFZED-UHFFFAOYSA-N
SMILES
CC[N+](=O)[O-]
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3FCJ
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Color Legend
Unassigned regionsLigand / hetero atomse3fcjA3e3fcjA4e3fcjA5e3fcjB3e3fcjB4e3fcjB5e3fcjC3e3fcjC4e3fcjC5e3fcjD3e3fcjD4e3fcjD5
ECOD domains from experimental PDB structures interacting with ligand NIE
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjA3 | A:261-432 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjA4 | A:127-260 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjA5 | A:2-126 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjB3 | B:261-432 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjB4 | B:127-260 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjB5 | B:2-126 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjC3 | C:261-431 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjC5 | C:2-126 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjD3 | D:261-433 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjD4 | D:127-260 |
| Q8X1D8 | n/a | NIE | 3fcj | e3fcjD5 | D:2-126 |