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 Q8ZKF6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1PG3	Download	Experimental	e1pg3A3 e1pg3A4 e1pg3A2 e1pg3B3 e1pg3B4 e1pg3B2	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot
5JRH	Download	Experimental	e5jrhA2 e5jrhA3 e5jrhA4 e5jrhB4 e5jrhA2 e5jrhA3 e5jrhB1 e5jrhB2 e5jrhB4	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot
1PG4	Download	Experimental	e1pg4A3 e1pg4A4 e1pg4A5 e1pg4B3 e1pg4B4 e1pg4B2	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot
2P2B	Download	Experimental	e2p2bA5 e2p2bA6 e2p2bA8 e2p2bB7 e2p2bB8 e2p2bB3	Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot
2P2F	Download	Experimental	e2p2fA7 e2p2fA8 e2p2fA3 e2p2fB5 e2p2fB6 e2p2fB8	Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot
2P2J	Download	Experimental	e2p2jA5 e2p2jA6 e2p2jA8 e2p2jB7 e2p2jB8 e2p2jB3	Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot