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 Q2FIA5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EQW	Download	Experimental	e4eqwA8 e4eqwA9 e4eqwB7 e4eqwA7 e4eqwA8 e4eqwA9 e4eqwB8 e4eqwB9	Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
4EQR	Download	Experimental	e4eqrA8 e4eqrA9 e4eqrB7 e4eqrA7 e4eqrA8 e4eqrA9 e4eqrB8 e4eqrB9	Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
4EQS	Download	Experimental	e4eqsA8 e4eqsA9 e4eqsB7 e4eqsA7 e4eqsA8 e4eqsA9 e4eqsB8 e4eqsB9	Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot