PDB ligand accession: AHE
DrugBank: DB04153
PubChem:
ChEMBL: n/a
InChI Key: PIUSLWSYOYFRFR-BQBZGAKWSA-N
SMILES: N[C@@H](CCC(=O)N[C@@H](CSCO)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 | 113 | Acetylation | PyMOL_RFAA | ||
| LYS | 120 | Malonylation | PyMOL_RFAA | ||
| SER | 177 | Phosphorylation | PyMOL_RFAA | ||
| THR | 178 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 93 | Phosphorylation | PyMOL_Chai1 | ||
| MET | 362 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 113 | Ubiquitination | |||
| THR | 310 | Phosphorylation | PyMOL_RFAA |