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 P0AGE9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2NUA	Download	Experimental	e2nuaA2 e2nuaE1 e2nuaA1 e2nuaB2 e2nuaA1 e2nuaD2 e2nuaB1 e2nuaD1 e2nuaE2 e2nuaE1 e2nuaD1	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like	LigPlot
2NU7	Download	Experimental	e2nu7A2 e2nu7E1 e2nu7A1 e2nu7B2 e2nu7A1 e2nu7D2 e2nu7B1 e2nu7D1 e2nu7D2 e2nu7E2	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Flavodoxin-like	LigPlot
2NU9	Download	Experimental	e2nu9A2 e2nu9G1 e2nu9E1 e2nu9A1 e2nu9D2 e2nu9B1 e2nu9I1 e2nu9D1 e2nu9F2 e2nu9B1 e2nu9I1 e2nu9F1 e2nu9H2 e2nu9G1 e2nu9E1 e2nu9H1	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like	LigPlot
2NU8	Download	Experimental	e2nu8A2 e2nu8E1 e2nu8A1 e2nu8B2 e2nu8A1 e2nu8D2 e2nu8B1 e2nu8D1 e2nu8D2 e2nu8E2	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Flavodoxin-like	LigPlot
2NU6	Download	Experimental	e2nu6A2 e2nu6E1 e2nu6A1 e2nu6B2 e2nu6A1 e2nu6D2 e2nu6B1 e2nu6D1 e2nu6E2 e2nu6E1 e2nu6D1	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like	LigPlot