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 Q5SIE3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2V18	Download	Experimental	e2v18F1 e2v18B1 e2v18G1 e2v18J1 e2v18C1 e2v18E1 e2v18I1 e2v18D1 e2v18K1	Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like	LigPlot
2UX9	Download	Experimental	e2ux9A1 e2ux9E1 e2ux9F1 e2ux9B1 e2ux9C1 e2ux9D1	Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like	LigPlot
2VYX	Download	Experimental	e2vyxA1 e2vyxH1 e2vyxL1 e2vyxB1 e2vyxF1 e2vyxG1 e2vyxC1 e2vyxE1 e2vyxJ1 e2vyxD1 e2vyxI1 e2vyxK1	Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like	LigPlot
2V19	Download	Experimental	e2v19I1 e2v19A1 e2v19E1 e2v19J1 e2v19F1 e2v19B1 e2v19C1 e2v19K1 e2v19G1 e2v19D1 e2v19H1 e2v19L1	Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like Dodecin subunit-like	LigPlot