Ligand name: Rutin
PDB ligand accession: RUT
DrugBank: DB01698
PubChem: 5280805
ChEMBL: CHEMBL226335
InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Drug action: n/a

List of small molecule binding-associated PTMs for P42330

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
THR 82 Phosphorylation PyMOL_RFAA
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 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