PDB ligand accession: GSB
DrugBank: DB03602
PubChem:
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
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 |