Ligand name: S-benzylglutathione
PDB ligand accession: GSB
DrugBank: DB03602
PubChem: 445707
ChEMBL: n/a
InChI Key: XYJWEQWNNKNSFU-STQMWFEESA-N
SMILES: [H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1)C(=O)N([H])CC(O)=O)C(O)=O
Drug action: n/a

List of small molecule binding-associated PTMs for Q04760

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 157 Acetylation PyMOL_RFAA
LYS 159 Acetylation PyMOL_RFAA
LYS 60 Acetylation PyMOL_RFAA
CYS 61 Glutathionylation PyMOL_RFAA
THR 107 Phosphorylation PyMOL_RFAA
CYS 61 S-nitrosylation PyMOL_RFAA
MET 36 Sulfoxidation PyMOL_RFAA
TYR 136 Phosphorylation PyMOL_Chai1