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 P53396

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8G5D	Download	Experimental	e8g5dA1 e8g5dB1 e8g5dC1 e8g5dA1 e8g5dB1 e8g5dD5 e8g5dC1 e8g5dD1	Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Rossmann-like Citrate synthase-like Citrate synthase-like	LigPlot
8G1E	Download	Experimental	e8g1eA1 e8g1eB1 e8g1eC1 e8g1eA1 e8g1eB1 e8g1eA1 e8g1eA5 e8g1eC1 e8g1eB1 e8g1eC1 e8g1eD1	Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Rossmann-like Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like	LigPlot
6UI9	Download	Experimental	e6ui9A3 e6ui9A4 e6ui9A5 e6ui9C1 e6ui9B3 e6ui9B4 e6ui9B5 e6ui9D1 e6ui9B1 e6ui9D3 e6ui9D4 e6ui9D5	Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like	LigPlot
6Z2H	Download	Experimental	e6z2hA1 e6z2hD1 e6z2hB1 e6z2hC1	Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like	LigPlot
7LLA	Download	Experimental	e7llaA3 e7llaA4 e7llaA5 e7llaC1 e7llaB3 e7llaB4 e7llaB5 e7llaD1 e7llaA1 e7llaA3 e7llaA5 e7llaC3 e7llaC4 e7llaC5 e7llaB1 e7llaD3 e7llaD4 e7llaD5	Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Citrate synthase-like Flavodoxin-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like	LigPlot
6UV5	Download	Experimental	e6uv5A1 e6uv5A3 e6uv5A5 e6uv5C3 e6uv5C4 e6uv5C5 e6uv5B3 e6uv5B4 e6uv5B5 e6uv5D1 e6uv5B1 e6uv5D3 e6uv5D4 e6uv5D5	Citrate synthase-like Flavodoxin-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like Citrate synthase-like Flavodoxin-like Flavodoxin-like Rossmann-like	LigPlot
8G1F	Download	Experimental	e8g1fA1 e8g1fB1 e8g1fC1 e8g1fD1	Citrate synthase-like Citrate synthase-like Citrate synthase-like Citrate synthase-like	LigPlot
7LJ9	Download	Experimental	e7lj9D3 e7lj9D4 e7lj9D5 e7lj9B1	Flavodoxin-like Flavodoxin-like Rossmann-like Citrate synthase-like	LigPlot