PDB ligand accession: MBV
DrugBank: DB04363
PubChem: n/a
ChEMBL: n/a
InChI Key: OJKQMHYPQBCGFM-BMHFDQIVSA-N
SMILES: [H]N1C(=O)C(C)=C(CC)\C1=C\C1=N\C(=C/C2=C(C)C(CCC(O)=O)=C(\C=C3/N([H])C(=O)C(C)=C3CC)N2[H])\C(C)=C1CCC(O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 82 | Phosphorylation | PyMOL_RFAA | ||
SER | 173 | Phosphorylation | PyMOL_RFAA | ||
THR | 129 | Phosphorylation | PyMOL_RFAA | ||
THR | 77 | Phosphorylation | PyMOL_RFAA | ||
THR | 84 | Phosphorylation | PyMOL_RFAA | ||
MET | 87 | Sulfoxidation | PyMOL_RFAA | ||
MET | 150 | Sulfoxidation | PyMOL_RFAA |