Ligand name: Emodin
PDB ligand accession: EMO
DrugBank: DB07715
PubChem: 3220
ChEMBL: CHEMBL289277
InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N
SMILES: CC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P68400

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 49 Acetylation PyMOL_RFAA
TYR 50 Phosphorylation PyMOL_Chai1
SER 51 Phosphorylation PyMOL_RFAA
MET 163 Sulfoxidation PyMOL_RFAA
LYS 49 Ubiquitination
LYS 68 Ubiquitination
LYS 158 Ubiquitination
LYS 44 Ubiquitination
LYS 64 Ubiquitination
LYS 122 Acetylation PyMOL_RFAA
LYS 122 Ubiquitination