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 A3QAV3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OCG	Download	Experimental	e4ocgA1 e4ocgA2 e4ocgA3 e4ocgB1 e4ocgB4 e4ocgA1 e4ocgA2 e4ocgA3 e4ocgA4 e4ocgB2 e4ocgB3	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 Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like	LigPlot
3NTA	Download	Experimental	e3ntaA1 e3ntaA2 e3ntaA4 e3ntaB1 e3ntaB3 e3ntaA1 e3ntaA2 e3ntaA3 e3ntaA4 e3ntaB2 e3ntaB4	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
3NT6	Download	Experimental	e3nt6A1 e3nt6A3 e3nt6A4 e3nt6B2 e3nt6B3 e3nt6A1 e3nt6A2 e3nt6A3 e3nt6A4 e3nt6B1 e3nt6B4	Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Flavodoxin-like Rossmann-like Flavodoxin-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like	LigPlot
3NTD	Download	Experimental	e3ntdA1 e3ntdA2 e3ntdA4 e3ntdB1 e3ntdB3 e3ntdA1 e3ntdA2 e3ntdA3 e3ntdA4 e3ntdB2 e3ntdB4	FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Flavodoxin-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Flavodoxin-like Rossmann-like Rossmann-like Rossmann-like	LigPlot