Ligand name: METHYLMALONYL-COENZYME A
PDB ligand accession: MCA
DrugBank: DB04045
PubChem: 449534
ChEMBL: n/a
InChI Key: MZFOKIKEPGUZEN-AGCMQPJKSA-N
SMILES: CC(C(=O)O)C(=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: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl thioesters

List of PDB structures and/or AlphaFold models with target protein Q9L0A2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3NYQ	Download	Experimental	e3nyqA6 e3nyqA8	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot