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 Q72HK3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RUZ	Download	Experimental	e6ruzA1 e6ruzA3 e6ruzB2 e6ruzA1 e6ruzA3 e6ruzB1 e6ruzC2 e6ruzD1	Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
6RVH	Download	Experimental	e6rvhA2 e6rvhA3 e6rvhB1 e6rvhA2 e6rvhA3 e6rvhB3 e6rvhC2 e6rvhD3	Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
6RVB	Download	Experimental	e6rvbA2 e6rvbA3 e6rvbB1 e6rvbA2 e6rvbA3 e6rvbB3 e6rvbC3 e6rvbD1	FAD-linked reductases, C-terminal domain-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