PDB ligand accession: GSH
DrugBank: DB00143
PubChem: 124886;25246407;171390563;
ChEMBL:
InChI Key: RWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 57 | Acetylation | PyMOL_RFAA | ||
LYS | 59 | Acetylation | PyMOL_RFAA | ||
CYS | 32 | Glutathionylation | PyMOL_RFAA | ||
CYS | 90 | Glutathionylation | PyMOL_RFAA | ||
CYS | 237 | Glutathionylation | PyMOL_RFAA | ||
LYS | 57 | Malonylation | PyMOL_RFAA | ||
LYS | 59 | Malonylation | PyMOL_RFAA | ||
SER | 121 | Phosphorylation | PyMOL_RFAA | ||
SER | 125 | Phosphorylation | PyMOL_RFAA | ||
TYR | 229 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 57 | Sumoylation | |||
MET | 115 | Sulfoxidation | PyMOL_RFAA |