PDB ligand accession: RDC
DrugBank: DB03758
PubChem:
ChEMBL:
InChI Key: WYZWZEOGROVVHK-GTMNPGAYSA-N
SMILES: C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 53 | Acetylation | PyMOL_RFAA | ||
| LYS | 72 | Acetylation | PyMOL_RFAA | ||
| LYS | 107 | Malonylation | PyMOL_RFAA | ||
| ARG | 177 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
| SER | 45 | Phosphorylation | PyMOL_RFAA | ||
| SER | 48 | Phosphorylation | PyMOL_RFAA | ||
| THR | 85 | Phosphorylation | PyMOL_RFAA | ||
| THR | 89 | Phosphorylation | PyMOL_RFAA | ||
| THR | 94 | Phosphorylation | PyMOL_RFAA | ||
| THR | 104 | Phosphorylation | PyMOL_RFAA | ||
| SER | 108 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 211 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| THR | 110 | Phosphorylation | PyMOL_RFAA | ||
| THR | 179 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 72 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
| MET | 93 | Sulfoxidation | PyMOL_RFAA | ||
| MET | 114 | Sulfoxidation | PyMOL_RFAA | ||
| MET | 125 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 53 | Ubiquitination | |||
| LYS | 107 | Ubiquitination | |||
| LYS | 148 | Ubiquitination | |||
| LYS | 180 | Ubiquitination |