Ligand name: {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID
PDB ligand accession: ITA
DrugBank: DB07999
PubChem: 11494891
ChEMBL: n/a
InChI Key: IXLBOIRSEDMRPI-UHFFFAOYSA-N
SMILES: OC(=O)COC(=O)C1=C2C(C(=O)N(CC(O)=O)S2(=O)=O)=C2C=CC=CC2=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P15121

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	22	Acetylation		PyMOL_RFAA
CYS	299	Glutathionylation		PyMOL_RFAA
THR	20	Phosphorylation		PyMOL_RFAA
SER	23	Phosphorylation		PyMOL_RFAA
TYR	49	Phosphorylation			PyMOL_Chai1
SER	77	Phosphorylation		PyMOL_RFAA
SER	211	Phosphorylation		PyMOL_RFAA
SER	215	Phosphorylation		PyMOL_RFAA
TYR	210	Phosphorylation			PyMOL_Chai1
SER	303	Phosphorylation		PyMOL_RFAA
THR	305	Phosphorylation		PyMOL_RFAA
SER	306	Phosphorylation		PyMOL_RFAA
CYS	299	S-nitrosylation		PyMOL_RFAA
CYS	304	S-nitrosylation		PyMOL_RFAA