DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
6-phosphogluconate dehydrogenase NAD-binding protein
Ligand Name
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
PDB Ligand Accession
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.

Structure: 6JIT
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 atomse6jitA1e6jitA2e6jitB1e6jitB2e6jitC1e6jitC2
ECOD domains from experimental PDB structures interacting with ligand DB03461
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
D3Q3R0DB03461NAP6jite6jitB2B:162-298
D3Q3R0DB03461NAP6jite6jitC1C:4-161
D3Q3R0DB03461NAP6jite6jitC2C:162-298
D3Q3R0DB03461NAP6jize6jizB2B:162-297
D3Q3R0DB03461NAP6jize6jizC1C:162-298
D3Q3R0DB03461NAP6jize6jizC2C:4-161