DrugDomain logoDrugDomain

Attributes

UniProt ID
B6BQB2
Protein Name
Trimethylamine monooxygenase
Ligand Name
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
DB03461
PDB Ligand Accession
NAP
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Mol*
Structure: 7D4K
Open File
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse7d4kA1e7d4kA2e7d4kB1e7d4kB2
ECOD domains from experimental PDB structures interacting with ligand DB03461
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
B6BQB2DB03461NAP7d4ke7d4kA1A:1-166,A:269-444
B6BQB2DB03461NAP7d4ke7d4kA2A:167-268
B6BQB2DB03461NAP7d4ke7d4kB1B:2-166,B:269-441
B6BQB2DB03461NAP7d4ke7d4kB2B:167-268
B6BQB2DB03461NAP7d4me7d4mA1A:1-166,A:269-444
B6BQB2DB03461NAP7d4me7d4mA2A:167-268
B6BQB2DB03461NAP7d4me7d4mB1B:1-166,B:269-442
B6BQB2DB03461NAP7d4me7d4mB2B:167-268
B6BQB2DB03461NAP7d4ne7d4nA1A:1-166,A:269-442
B6BQB2DB03461NAP7d4ne7d4nA2A:167-268
B6BQB2DB03461NAP7d4ne7d4nB1B:1-166,B:269-444
B6BQB2DB03461NAP7d4ne7d4nB2B:167-268