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 Q81UT5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ICR	Download	Experimental	e3icrA9 e3icrA10 e3icrA12 e3icrB9 e3icrB11 e3icrA9 e3icrA10 e3icrA11 e3icrA12 e3icrB10 e3icrB12	FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Flavodoxin-like FAD-linked reductases, C-terminal domain-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
3ICT	Download	Experimental	e3ictB9 e3ictB11 e3ictA1 e3ictA3 e3ictA4 e3ictB10 e3ictB12 e3ictA1 e3ictA2 e3ictA3 e3ictA4	FAD-linked reductases, C-terminal domain-like Flavodoxin-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Flavodoxin-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot
3ICS	Download	Experimental	e3icsA9 e3icsA10 e3icsA12 e3icsB9 e3icsB11 e3icsA9 e3icsA10 e3icsA11 e3icsA12 e3icsB10 e3icsB12	FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Flavodoxin-like FAD-linked reductases, C-terminal domain-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Rossmann-like	LigPlot