DrugDomain logoDrugDomain

Attributes

UniProt ID
Q88N39
Protein Name
Beta-ketoadipyl-CoA thiolase
Ligand Name
COENZYME A
DrugBank ID
DB01992
PDB Ligand Accession
COA
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 6PCB
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 atomse6pcbA1e6pcbA2e6pcbB1e6pcbB2e6pcbC1e6pcbC2e6pcbD1e6pcbD2
ECOD domains from experimental PDB structures interacting with ligand DB01992
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q88N39DB01992COA6pcbe6pcbA1A:276-400
Q88N39DB01992COA6pcbe6pcbA2A:-2-275
Q88N39DB01992COA6pcbe6pcbB1B:276-400
Q88N39DB01992COA6pcbe6pcbB2B:0-275
Q88N39DB01992COA6pcbe6pcbC1C:0-275
Q88N39DB01992COA6pcbe6pcbC2C:276-400
Q88N39DB01992COA6pcbe6pcbD1D:276-400
Q88N39DB01992COA6pcbe6pcbD2D:-1-275
Q88N39DB01992COA6pcce6pccA1A:-2-275
Q88N39DB01992COA6pcce6pccA2A:276-400
Q88N39DB01992COA6pcce6pccB1B:0-275
Q88N39DB01992COA6pcce6pccB2B:276-400
Q88N39DB01992COA6pcce6pccC1C:276-400
Q88N39DB01992COA6pcce6pccC2C:1-275
Q88N39DB01992COA6pcce6pccD1D:-1-275
Q88N39DB01992COA6pcce6pccD2D:276-400
Q88N39DB01992COA6pcde6pcdA1A:276-400
Q88N39DB01992COA6pcde6pcdA2A:-3-275
Q88N39DB01992COA6pcde6pcdD1D:-1-275
Q88N39DB01992COA6pcde6pcdD2D:276-400