PDB ligand accession: GEM
DrugBank: DB04489
PubChem:
ChEMBL: n/a
InChI Key: VKVCLXDFOQQABP-BYPYZUCNSA-N
SMILES: [H]N([H])C(=NCCS[C@@H](CC(O)=O)C(O)=O)N([H])[H]
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
MET | 138 | Sulfoxidation | PyMOL_Chai1 | ||
TYR | 679 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 1051 | Phosphorylation | |||
THR | 1056 | Phosphorylation |