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 Q8GBW6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1ON9	Download	Experimental	e1on9A1 e1on9B1 e1on9C1 e1on9D1 e1on9E1 e1on9F1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
1ON3	Download	Experimental	e1on3A1 e1on3D2 e1on3E1 e1on3B1 e1on3E2 e1on3C1 e1on3F2 e1on3A1 e1on3A2 e1on3D1 e1on3E1 e1on3E2 e1on3B2 e1on3F1 e1on3C2	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot