DrugDomain logoDrugDomain

Attributes

UniProt ID
Q9FD87
Protein Name
HMG-CoA synthase
Ligand Name
ACETOACETYL-COENZYME A
DrugBank ID
DB03059
PDB Ligand Accession
CAA
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OJFDKHTZOUZBOS-CITAKDKDSA-N
SMILES
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)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: 1TXT
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 atomse1txtA1e1txtA2e1txtB1e1txtB2e1txtC1e1txtC2e1txtD1e1txtD2
ECOD domains from experimental PDB structures interacting with ligand DB03059
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q9FD87DB03059CAA1txte1txtA1A:2-167
Q9FD87DB03059CAA1txte1txtA2A:168-388
Q9FD87DB03059CAA1txte1txtB1B:2-167
Q9FD87DB03059CAA1txte1txtB2B:168-388
Q9FD87DB03059CAA1txte1txtC1C:2-167
Q9FD87DB03059CAA1txte1txtC2C:168-388
Q9FD87DB03059CAA1txte1txtD1D:2-167
Q9FD87DB03059CAA1txte1txtD2D:168-388