Ligand name: Purvalanol A
PDB ligand accession: P01
DrugBank: DB04751
PubChem: 456214
ChEMBL: CHEMBL23327
InChI Key: PMXCMJLOPOFPBT-HNNXBMFYSA-N
SMILES: [H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C
Drug action: n/a

List of small molecule binding-associated PTMs for Q9Y6M4

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
TYR	68	Phosphorylation			PyMOL_Chai1
TYR	90	Phosphorylation			PyMOL_Chai1
TYR	103	Phosphorylation			PyMOL_Chai1
THR	332	Phosphorylation		PyMOL_RFAA
LYS	48	Ubiquitination
LYS	164	Ubiquitination