Ligand name: 3-methylmercaptopropionate-CoA (MMPA-CoA)
PDB ligand accession: 1HE
DrugBank: n/a
PubChem: 54758648
ChEMBL: n/a
InChI Key: SIEFLYWJLBNLAM-CITAKDKDSA-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)NCCSC(=O)CCSC)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 Q5LLW6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IZD	Download	Experimental	e4izdA1 e4izdB1	ClpP/crotonase ClpP/crotonase	LigPlot