Ligand name: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
PDB ligand accession: 53N
DrugBank: DB07139
PubChem: 25210476
ChEMBL: n/a
InChI Key: IHKCOKRMJRDWAL-UHFFFAOYSA-N
SMILES: OC(=O)CCC1=CC=C(S1)C1=CC(=CC=C1)[N+]([O-])=O
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	308	Acetylation		PyMOL_RFAA
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