Ligand name: ACETYL COENZYME *A
PDB ligand accession: ACO
DrugBank: n/a
PubChem: 444493
ChEMBL: CHEMBL1230809
InChI Key: ZSLZBFCDCINBPY-ZSJPKINUSA-N
SMILES: CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl thioesters

List of PDB structures and/or AlphaFold models with target protein P11498

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7WTC	Download	Experimental	e7wtcA2 e7wtcA4 e7wtcA5 e7wtcB5 e7wtcA2 e7wtcA4 e7wtcA5 e7wtcB2 e7wtcB7	Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related Rossmann-like alpha/beta-Hammerhead/Barrel-sandwich hybrid Rossmann-like Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related Rossmann-like alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related	LigPlot
7WTB	Download	Experimental	e7wtbA1 e7wtbA7 e7wtbA8 e7wtbB4 e7wtbA1 e7wtbA7 e7wtbA8 e7wtbB3 e7wtbB7	alpha/beta-Hammerhead/Barrel-sandwich hybrid Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related Rossmann-like Rossmann-like alpha/beta-Hammerhead/Barrel-sandwich hybrid Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related Rossmann-like Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot
7WTE	Download	Experimental	e7wteC2 e7wteC6 e7wteD8 e7wteC1 e7wteD1 e7wteD7	Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related alpha/beta-Hammerhead/Barrel-sandwich hybrid Rossmann-like Rossmann-like Methylcrotonyl-CoA carboxylase alpha-subunit BT domain-related alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot