DrugDomain logoDrugDomain

Attributes

UniProt ID
P0A9Q7
Protein Name
Bifunctional aldehyde-alcohol dehydrogenase AdhE ; Alcohol dehydrogenase ]
Ligand Name
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
DrugBank ID
DB14128
PDB Ligand Accession
NAD
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

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

Mol*
Structure: 6SCG
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 atomse6scgA1e6scgA2e6scgB1e6scgB2
ECOD domains from experimental PDB structures interacting with ligand DB14128
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0A9Q7DB14128NAD6scge6scgA1A:640-869
P0A9Q7DB14128NAD6scge6scgA2A:450-639
P0A9Q7DB14128NAD6scge6scgB1B:640-869
P0A9Q7DB14128NAD6scge6scgB2B:450-639
P0A9Q7DB14128NAD6tqhe6tqhA1A:215-449
P0A9Q7DB14128NAD6tqhe6tqhA3A:1-214
P0A9Q7DB14128NAD6tqhe6tqhB2B:640-869
P0A9Q7DB14128NAD6tqhe6tqhB4B:450-639
P0A9Q7DB14128NAD7bvpe7bvpA2A:640-869
P0A9Q7DB14128NAD7bvpe7bvpA4A:450-639
P0A9Q7DB14128NAD7bvpe7bvpB2B:640-869
P0A9Q7DB14128NAD7bvpe7bvpB4B:450-639
P0A9Q7DB14128NAD7bvpe7bvpC2C:640-869
P0A9Q7DB14128NAD7bvpe7bvpC4C:450-639
P0A9Q7DB14128NAD7bvpe7bvpD2D:640-869
P0A9Q7DB14128NAD7bvpe7bvpD4D:450-639
P0A9Q7DB14128NAD7bvpe7bvpE2E:640-869
P0A9Q7DB14128NAD7bvpe7bvpE4E:450-639
P0A9Q7DB14128NAD7bvpe7bvpF2F:640-869
P0A9Q7DB14128NAD7bvpe7bvpF4F:450-639