Ligand name: COENZYME A
PDB ligand accession: COA
DrugBank: DB01992
PubChem: 87642
ChEMBL: CHEMBL1213327
InChI Key: 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: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein Q2K340

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2QF7	Download	Experimental	e2qf7B15 e2qf7A4 e2qf7A5 e2qf7A6	Rossmann-like alpha/beta-Hammerhead/Barrel-sandwich hybrid Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related Rossmann-like	LigPlot
3TW6	Download	Experimental	e3tw6A14 e3tw6A16 e3tw6C10 e3tw6C11	Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related alpha/beta-Hammerhead/Barrel-sandwich hybrid Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot