Ligand name: 3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol
PDB ligand accession: AJ3
DrugBank: DB02895
PubChem: 9543424
ChEMBL: n/a
InChI Key: HSVQDVSVQIMRSS-CDAZIORVSA-N
SMILES: S\C=C\C[S@](=O)CC=C
Drug action: n/a

List of small molecule binding-associated PTMs for P00390

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 97 Acetylation PyMOL_RFAA
CYS 107 Glutathionylation PyMOL_RFAA
TYR 158 Phosphorylation PyMOL_Chai1
THR 383 Phosphorylation PyMOL_RFAA
THR 101 Phosphorylation PyMOL_RFAA
SER 165 Phosphorylation PyMOL_RFAA
CYS 107 S-nitrosylation PyMOL_RFAA