PDB ligand accession: MES
DrugBank: DB03814
PubChem: 78165;4478249;
ChEMBL:
InChI Key: SXGZJKUKBWWHRA-UHFFFAOYSA-N
SMILES: OS(=O)(=O)CCN1CCOCC1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 189 | Acetylation | PyMOL_RFAA | ||
| LYS | 191 | Acetylation | PyMOL_RFAA | ||
| TYR | 4 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 28 | Phosphorylation | PyMOL_RFAA | ||
| SER | 196 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 199 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 5 | Phosphorylation | PyMOL_RFAA | ||
| MET | 20 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 191 | Ubiquitination | |||
| TYR | 80 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 68 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 82 | Ubiquitination | |||
| LYS | 128 | Acetylation | PyMOL_RFAA | ||
| LYS | 128 | Ubiquitination | |||
| TYR | 8 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 38 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 50 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 109 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 35 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 103 | Acetylation | PyMOL_RFAA | ||
| LYS | 121 | Acetylation | PyMOL_RFAA | ||
| LYS | 121 | Ubiquitination |