PDB ligand accession: AFB
DrugBank: DB07348
PubChem:
ChEMBL:
InChI Key: KQNZDYYTLMIZCT-KQPMLPITSA-N
SMILES: [H][C@]1(O)C[C@@]2([H])\C=C\CCC[C@]([H])(C)OC(=O)\C=C\[C@@]([H])(O)[C@]2([H])C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 62 | Phosphorylation | PyMOL_RFAA | ||
THR | 64 | Phosphorylation | PyMOL_RFAA | ||
TYR | 81 | Phosphorylation | PyMOL_Chai1 | ||
MET | 22 | Sulfoxidation | PyMOL_RFAA | ||
MET | 110 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 73 | Ubiquitination |