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 | 42 | Acetylation | PyMOL_RFAA | ||
LYS | 42 | Malonylation | PyMOL_RFAA | ||
LYS | 60 | Malonylation | PyMOL_RFAA | ||
SER | 31 | Phosphorylation | PyMOL_RFAA | ||
TYR | 37 | Phosphorylation | PyMOL_Chai1 | ||
THR | 32 | Phosphorylation | PyMOL_RFAA | ||
THR | 34 | Phosphorylation | PyMOL_RFAA | ||
TYR | 62 | Phosphorylation | PyMOL_Chai1 | ||
THR | 65 | Phosphorylation | PyMOL_RFAA | ||
CYS | 50 | S-nitrosylation | PyMOL_RFAA | ||
TYR | 121 | Phosphorylation | PyMOL_Chai1 |