Ligand name: (3R)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylicacid-L-phenylalanine ethyl ester
PDB ligand accession: SUB
DrugBank: DB01712
PubChem: 46936196
ChEMBL: n/a
InChI Key: NDDSSAGSYFVBTG-SFTDATJTSA-N
SMILES: CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CSCCN1S(=O)(=O)C1=CC=C(C)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P62942

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	36	Acetylation		PyMOL_RFAA
LYS	48	Acetylation		PyMOL_RFAA
LYS	53	Acetylation		PyMOL_RFAA
CYS	23	Glutathionylation		PyMOL_RFAA
LYS	48	Malonylation		PyMOL_RFAA
LYS	53	Malonylation		PyMOL_RFAA
TYR	81	Phosphorylation			PyMOL_Chai1
MET	30	Sulfoxidation		PyMOL_RFAA
LYS	53	Ubiquitination