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 B1L3C9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XYM	Download	Experimental	e4xymA2 e4xymA3 e4xymC3 e4xymA1 e4xymA2 e4xymA3 e4xymC1 e4xymC2	Rossmann-like Flavodoxin-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
5HBR	Download	Experimental	e5hbrA1 e5hbrA3 e5hbrC1 e5hbrA1 e5hbrA2 e5hbrA3 e5hbrC2 e5hbrC3	Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
4XZ3	Download	Experimental	e4xz3A2 e4xz3A3 e4xz3C1 e4xz3C2	Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like	LigPlot
4YAK	Download	Experimental	e4yakA1 e4yakA3 e4yakC2	Rossmann-like Flavodoxin-like Flavodoxin-like	LigPlot
4XYL	Download	Experimental	e4xylA1 e4xylA2 e4xylC1 e4xylC2	Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like	LigPlot