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 | 97 | Acetylation | PyMOL_RFAA | ||
| LYS | 110 | Acetylation | PyMOL_RFAA | ||
| TYR | 158 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 383 | Phosphorylation | PyMOL_RFAA | ||
| THR | 101 | Phosphorylation | PyMOL_RFAA | ||
| SER | 165 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 164 | Acetylation | PyMOL_RFAA | ||
| CYS | 107 | Glutathionylation | PyMOL_RFAA | ||
| CYS | 107 | S-nitrosylation | PyMOL_RFAA |