Ligand name: N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide
PDB ligand accession: FG1
DrugBank: DB02784
PubChem: 49866981
ChEMBL: n/a
InChI Key: IYAWTDCWUJJPHZ-ZDUSSCGKSA-N
SMILES: [H]N(CCC(=O)N([H])[C@@]([H])(CO)C(=O)N([H])CCC1=CC=C(C=C1)N([H])C(=O)C(O)=O)C(=O)CBr
Drug action: n/a

List of small molecule binding-associated PTMs for P18031

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	120	Acetylation		PyMOL_RFAA
CYS	215	Glutathionylation		PyMOL_RFAA
LYS	120	Malonylation		PyMOL_RFAA
CYS	215	Oxidation		PyMOL_RFAA
TYR	20	Phosphorylation			PyMOL_Chai1
TYR	46	Phosphorylation			PyMOL_Chai1
SER	50	Phosphorylation		PyMOL_RFAA
SER	222	Phosphorylation		PyMOL_RFAA
THR	224	Phosphorylation		PyMOL_RFAA
SER	216	Phosphorylation		PyMOL_RFAA
THR	84	Phosphorylation		PyMOL_RFAA
CYS	215	S-nitrosylation		PyMOL_RFAA
CYS	215	Sulfation		PyMOL_RFAA
CYS	215	Sulfhydration
MET	258	Sulfoxidation		PyMOL_RFAA