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 |