PDB ligand accession: LAB
DrugBank: DB08080
PubChem:
ChEMBL:
InChI Key: NSHPHXHGRHSMIK-JRIKCGFMSA-N
SMILES: [H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 63 | Acetylation | PyMOL_RFAA | ||
| LYS | 70 | Acetylation | PyMOL_RFAA | ||
| LYS | 215 | Acetylation | PyMOL_RFAA | ||
| LYS | 217 | Acetylation | PyMOL_RFAA | ||
| LYS | 63 | Malonylation | PyMOL_RFAA | ||
| LYS | 63 | Neddylation | |||
| SER | 35 | Phosphorylation | PyMOL_RFAA | ||
| SER | 62 | Phosphorylation | PyMOL_RFAA | ||
| THR | 68 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 71 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 188 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 190 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 204 | Phosphorylation | PyMOL_RFAA | ||
| THR | 305 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 308 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 205 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 339 | Phosphorylation | PyMOL_Chai1 | ||
| MET | 192 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 63 | Ubiquitination | |||
| LYS | 70 | Ubiquitination | |||
| LYS | 215 | Ubiquitination | |||
| LYS | 217 | Ubiquitination | |||
| LYS | 338 | Ubiquitination | |||
| TYR | 145 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 151 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 168 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 171 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 150 | Phosphorylation | PyMOL_RFAA | ||
| SER | 350 | Phosphorylation | PyMOL_RFAA | ||
| SER | 352 | Phosphorylation | PyMOL_RFAA | ||
| THR | 353 | Phosphorylation | PyMOL_RFAA |