PDB ligand accession: CIT
DrugBank: DB04272
PubChem: 311;19782904;88113319;
ChEMBL:
InChI Key: KRKNYBCHXYNGOX-UHFFFAOYSA-N
SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 239 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
| LYS | 239 | Malonylation | PyMOL_RFAA | ||
| THR | 170 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
| THR | 171 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
| THR | 235 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
| SER | 246 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
| THR | 248 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
| SER | 250 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
| MET | 251 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 241 | Ubiquitination |