Ligand name: 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
PDB ligand accession: PY9
DrugBank: DB08442
PubChem: 25058141
ChEMBL: CHEMBL470365
InChI Key: TWODFUZHWYZBHZ-MRXNPFEDSA-N
SMILES: [H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C
Drug action: n/a

List of small molecule binding-associated PTMs for P07900

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 58 Acetylation PyMOL_RFAA
LYS 112 Acetylation PyMOL_RFAA
SER 52 Phosphorylation PyMOL_RFAA
SER 53 Phosphorylation PyMOL_RFAA
THR 90 Phosphorylation PyMOL_RFAA
THR 94 Phosphorylation PyMOL_RFAA
THR 99 Phosphorylation PyMOL_RFAA
TYR 160 Phosphorylation PyMOL_RFAA PyMOL_Chai1
SER 50 Phosphorylation PyMOL_RFAA
MET 98 Sulfoxidation PyMOL_RFAA
LYS 58 Ubiquitination
LYS 112 Ubiquitination
LYS 185 Ubiquitination
THR 109 Phosphorylation PyMOL_RFAA