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 Q12KT8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MZU	Download	Experimental	e4mzuA1 e4mzuA2 e4mzuC2 e4mzuA1 e4mzuB1 e4mzuB2 e4mzuB2 e4mzuC1 e4mzuC2 e4mzuD1 e4mzuD2 e4mzuF2 e4mzuD2 e4mzuE1 e4mzuE2 e4mzuE1 e4mzuF1 e4mzuF2 e4mzuG1 e4mzuH1 e4mzuH2 e4mzuH1 e4mzuI1 e4mzuI2 e4mzuJ1 e4mzuJ2 e4mzuL2 e4mzuJ1 e4mzuK1 e4mzuK2 e4mzuK2 e4mzuL1 e4mzuL2	Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix jelly-roll Single-stranded left-handed beta-helix	LigPlot