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 I6XHI4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UBV	Download	Experimental	e4ubvA1 e4ubvA2 e4ubvB1 e4ubvB2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot
4UBT	Download	Experimental	e4ubtA1 e4ubtA2 e4ubtB1 e4ubtB2 e4ubtC1 e4ubtC2 e4ubtD1 e4ubtD2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot
4UBU	Download	Experimental	e4ubuA1 e4ubuA2 e4ubuB1 e4ubuB2 e4ubuC1 e4ubuC2 e4ubuD1 e4ubuD2 e4ubuE1 e4ubuE2 e4ubuF1 e4ubuF2 e4ubuG1 e4ubuG2 e4ubuH1 e4ubuH2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot