Ligand name: Octanoyl-Coenzyme A
PDB ligand accession: CO8
DrugBank: DB02910
PubChem: 445344
ChEMBL: n/a
InChI Key: KQMZYOXOBSXMII-CECATXLMSA-N
SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Drug action: n/a

List of small molecule binding-associated PTMs for P11310

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	271	Acetylation		PyMOL_RFAA
LYS	279	Acetylation		PyMOL_RFAA
LYS	279	Malonylation		PyMOL_RFAA
THR	351	Phosphorylation		PyMOL_RFAA
TYR	352	Phosphorylation			PyMOL_Chai1
TYR	353	Phosphorylation			PyMOL_Chai1
TYR	400	Phosphorylation			PyMOL_Chai1
TYR	397	Phosphorylation			PyMOL_Chai1
THR	403	Phosphorylation		PyMOL_RFAA
LYS	271	Succinylation		PyMOL_RFAA PyMOL_RFAA
LYS	279	Succinylation		PyMOL_RFAA PyMOL_RFAA
TYR	73	Phosphorylation			PyMOL_Chai1