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Attributes

UniProt ID
Q56839
Protein Name
2-oxopropyl-CoM reductase, carboxylating
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: 2C3C
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Color Legend
Unassigned regionsLigand / hetero atomse2c3cA1e2c3cA2e2c3cA3e2c3cB1e2c3cB2e2c3cB3
ECOD domains from experimental PDB structures interacting with ligand DB03461
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q56839DB03461NAP2c3ce2c3cA1A:384-523
Q56839DB03461NAP2c3ce2c3cA2A:2-192,A:314-383
Q56839DB03461NAP2c3ce2c3cA3A:193-313
Q56839DB03461NAP2c3ce2c3cB1B:384-523
Q56839DB03461NAP2c3ce2c3cB2B:2-192,B:314-383
Q56839DB03461NAP2c3ce2c3cB3B:193-313
Q56839DB03461NAP3q6je3q6jA1A:384-523
Q56839DB03461NAP3q6je3q6jA2A:2-192,A:314-383
Q56839DB03461NAP3q6je3q6jA3A:193-313
Q56839DB03461NAP3q6je3q6jB1B:384-523
Q56839DB03461NAP3q6je3q6jB2B:2-192,B:314-383
Q56839DB03461NAP3q6je3q6jB3B:193-313