Ligand name: 8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine
PDB ligand accession: PU2
DrugBank: DB03093
PubChem: 448973
ChEMBL: CHEMBL324951
InChI Key: MWHAHELTVGJGFJ-UHFFFAOYSA-N
SMILES: COC1=CC(CC2=NC3=NC(F)=NC(N)=C3N2)=C(OC)C=C1
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	100	Acetylation		PyMOL_RFAA
LYS	112	Acetylation		PyMOL_RFAA
SER	52	Phosphorylation		PyMOL_RFAA
SER	53	Phosphorylation		PyMOL_RFAA
THR	94	Phosphorylation		PyMOL_RFAA
THR	99	Phosphorylation		PyMOL_RFAA
THR	109	Phosphorylation		PyMOL_RFAA
SER	113	Phosphorylation		PyMOL_RFAA
THR	115	Phosphorylation		PyMOL_RFAA
TYR	160	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
SER	164	Phosphorylation		PyMOL_RFAA
SER	50	Phosphorylation		PyMOL_RFAA
THR	171	Phosphorylation		PyMOL_RFAA
LYS	100	Succinylation		PyMOL_RFAA PyMOL_RFAA
MET	98	Sulfoxidation		PyMOL_RFAA
LYS	58	Ubiquitination
LYS	112	Ubiquitination
LYS	185	Ubiquitination