Ligand name: S-Hexylglutathione
PDB ligand accession: LEE
DrugBank: DB04132
PubChem: 97536
ChEMBL: CHEMBL345292
InChI Key: HXJDWCWJDCOHDG-RYUDHWBXSA-N
SMILES: CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Drug action: n/a

List of small molecule binding-associated PTMs for P09211

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	103	Acetylation		PyMOL_RFAA
CYS	102	Glutathionylation		PyMOL_RFAA
MET	92	Sulfoxidation		PyMOL_RFAA
LYS	55	Acetylation		PyMOL_RFAA
LYS	209	Acetylation		PyMOL_RFAA
CYS	48	Glutathionylation		PyMOL_RFAA
LYS	209	Methylation		PyMOL_RFAA PyMOL_RFAA
TYR	8	Phosphorylation			PyMOL_Chai1
THR	38	Phosphorylation		PyMOL_RFAA
TYR	50	Phosphorylation			PyMOL_Chai1
TYR	64	Phosphorylation			PyMOL_Chai1
SER	106	Phosphorylation		PyMOL_RFAA
TYR	109	Phosphorylation			PyMOL_Chai1
THR	35	Phosphorylation		PyMOL_RFAA
SER	66	Phosphorylation		PyMOL_RFAA
THR	68	Phosphorylation		PyMOL_RFAA
CYS	48	S-nitrosylation		PyMOL_RFAA
CYS	48	S-palmitoylation		PyMOL_RFAA