PDB ligand accession: PG2
DrugBank: DB02056
PubChem:
ChEMBL:
InChI Key: BHMBVRSPMRCCGG-OUTUXVNYSA-N
SMILES: [H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 270 | Acetylation | PyMOL_RFAA | ||
TYR | 24 | Phosphorylation | PyMOL_Chai1 | ||
SER | 51 | Phosphorylation | PyMOL_RFAA | ||
TYR | 55 | Phosphorylation | PyMOL_Chai1 | ||
SER | 83 | Phosphorylation | PyMOL_RFAA | ||
SER | 118 | Phosphorylation | PyMOL_RFAA | ||
SER | 129 | Phosphorylation | PyMOL_RFAA | ||
SER | 166 | Phosphorylation | PyMOL_RFAA | ||
SER | 221 | Phosphorylation | PyMOL_RFAA | ||
TYR | 305 | Phosphorylation | PyMOL_Chai1 | ||
SER | 310 | Phosphorylation | PyMOL_RFAA | ||
TYR | 319 | Phosphorylation | PyMOL_Chai1 | ||
SER | 320 | Phosphorylation | PyMOL_RFAA | ||
SER | 121 | Phosphorylation | PyMOL_RFAA | ||
THR | 131 | Phosphorylation | PyMOL_RFAA | ||
SER | 217 | Phosphorylation | PyMOL_RFAA | ||
THR | 23 | Phosphorylation | PyMOL_RFAA | ||
SER | 308 | Phosphorylation | PyMOL_RFAA | ||
SER | 313 | Phosphorylation | PyMOL_RFAA | ||
TYR | 317 | Phosphorylation | PyMOL_Chai1 |