Ligand name: 1,4-Dioxane
PDB ligand accession: DIO
DrugBank: DB03316
PubChem: 31275
ChEMBL: CHEMBL453716
InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N
SMILES: C1COCCO1
Drug action: n/a

List of small molecule binding-associated PTMs for Q9Y6I3

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 101 Phosphorylation PyMOL_Chai1
THR 105 Phosphorylation PyMOL_RFAA
LYS 97 Ubiquitination
TYR 83 Phosphorylation PyMOL_Chai1
LYS 86 Ubiquitination
LYS 149 Ubiquitination
TYR 111 Phosphorylation PyMOL_Chai1
LYS 107 Ubiquitination
LYS 128 Ubiquitination