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 P07459

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1CQJ	Download	Experimental	e1cqjA2 e1cqjE1 e1cqjA1 e1cqjB2 e1cqjA1 e1cqjD2 e1cqjB1 e1cqjD1	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like	LigPlot
1SCU	Download	Experimental	e1scuA2 e1scuE1 e1scuA1 e1scuD2 e1scuB1 e1scuD1	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like	LigPlot
1JLL	Download	Experimental	e1jllA2 e1jllE1 e1jllA1 e1jllB2 e1jllA1 e1jllD2 e1jllB1 e1jllD1 e1jllD2 e1jllE2	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
1JKJ	Download	Experimental	e1jkjA2 e1jkjE1 e1jkjA1 e1jkjB2 e1jkjA1 e1jkjD2 e1jkjB1 e1jkjD1	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like	LigPlot
1CQI	Download	Experimental	e1cqiA2 e1cqiE1 e1cqiA1 e1cqiD2 e1cqiB1 e1cqiD1	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like	LigPlot
2SCU	Download	Experimental	e2scuA2 e2scuE1 e2scuA1 e2scuD2 e2scuB1 e2scuD1	Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like Flavodoxin-like Protein kinase/SAICAR synthase/ATP-grasp Rossmann-like	LigPlot