PDB ligand accession: SA1
DrugBank: DB08515
PubChem:
ChEMBL: n/a
InChI Key: YVABESCRHMBHJD-FUQNVFFISA-N
SMILES: [H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 67 | Acetylation | PyMOL_RFAA | ||
ARG | 63 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
THR | 54 | Phosphorylation | PyMOL_RFAA | ||
THR | 55 | Phosphorylation | PyMOL_RFAA | ||
THR | 56 | Phosphorylation | PyMOL_RFAA | ||
SER | 58 | Phosphorylation | PyMOL_RFAA | ||
TYR | 59 | Phosphorylation | PyMOL_Chai1 | ||
THR | 69 | Phosphorylation | PyMOL_RFAA | ||
SER | 203 | Phosphorylation | PyMOL_RFAA | ||
SER | 204 | Phosphorylation | PyMOL_RFAA | ||
THR | 65 | Phosphorylation | PyMOL_RFAA | ||
LYS | 67 | Ubiquitination |