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)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS
Drug action: n/a

List of small molecule binding-associated PTMs for Q9BWD1

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	233	Acetylation		PyMOL_RFAA
LYS	235	Acetylation		PyMOL_RFAA
SER	185	Phosphorylation		PyMOL_RFAA
SER	226	Phosphorylation		PyMOL_RFAA
SER	232	Phosphorylation		PyMOL_RFAA
SER	358	Phosphorylation		PyMOL_RFAA
LYS	235	Ubiquitination
LYS	233	Ubiquitination