Ligand name: N6-Benzyl Adenosine-5'-Diphosphate
PDB ligand accession: NBS
DrugBank: DB01893
PubChem: 446795
ChEMBL: CHEMBL1234640
InChI Key: MRHGMAGSDAQUFH-LSCFUAHRSA-N
SMILES: [H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(NCC4=CC=CC=C4)N=CN=C23)[C@]([H])(O)[C@]1([H])O
Drug action: n/a

List of small molecule binding-associated PTMs for P12931

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
TYR	338	Phosphorylation			PyMOL_Chai1
SER	348	Phosphorylation		PyMOL_RFAA
TYR	419	Phosphorylation			PyMOL_Chai1
LYS	426	Ubiquitination
LYS	404	Ubiquitination
LYS	298	Ubiquitination