Attributes
UniProt ID
Protein Name
3-oxoacyl- reductase MabA
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3S55
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Color Legend
Unassigned regionsLigand / hetero atomse3s55A1e3s55B1e3s55C1e3s55D1e3s55E1e3s55F1e3s55G1e3s55H1
ECOD domains from experimental PDB structures interacting with ligand DB14128
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| B1MLR7 | DB14128 | NAD | 3s55 | e3s55A1 | A:3-278 |
| B1MLR7 | DB14128 | NAD | 3s55 | e3s55B1 | B:4-278 |
| B1MLR7 | DB14128 | NAD | 3s55 | e3s55C1 | C:3-278 |
| B1MLR7 | DB14128 | NAD | 3s55 | e3s55D1 | D:4-278 |
| B1MLR7 | DB14128 | NAD | 3s55 | e3s55E1 | E:3-278 |
| B1MLR7 | DB14128 | NAD | 3s55 | e3s55F1 | F:4-278 |
| B1MLR7 | DB14128 | NAD | 3s55 | e3s55G1 | G:3-278 |
| B1MLR7 | DB14128 | NAD | 3s55 | e3s55H1 | H:4-278 |