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 D7WGJ0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VBL	Download	Experimental	e3vblC2 e3vblA2 e3vblC2 e3vblE2 e3vblE2 e3vblA2	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot
3VBN	Download	Experimental	e3vbnE2 e3vbnA2 e3vbnC2 e3vbnA2 e3vbnE2 e3vbnC2	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot
3VBI	Download	Experimental	e3vbiE2 e3vbiA1 e3vbiC2 e3vbiA1 e3vbiE2 e3vbiC2	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot
3VBK	Download	Experimental	e3vbkA2 e3vbkE2 e3vbkA2 e3vbkC2 e3vbkE2 e3vbkC2	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot
3VBP	Download	Experimental	e3vbpA2 e3vbpE2 e3vbpA2 e3vbpC2 e3vbpE2 e3vbpC2	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot
3VBM	Download	Experimental	e3vbmE2 e3vbmA2 e3vbmE2 e3vbmC2	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot