Ligand name: ATP
PDB ligand accession: ATP
DrugBank: DB00171
PubChem: 5957
ChEMBL: CHEMBL14249
InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES: NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Drug action: n/a

List of small molecule binding-associated PTMs for P31749

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
CYS	310	Glutathionylation		PyMOL_RFAA
TYR	176	Phosphorylation	PyMOL_AF3		PyMOL_Chai1
THR	211	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
THR	291	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
THR	312	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
TYR	437	Phosphorylation	PyMOL_AF3		PyMOL_Chai1
THR	443	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
CYS	296	S-nitrosylation	PyMOL_AF3	PyMOL_RFAA
CYS	310	S-nitrosylation	PyMOL_AF3	PyMOL_RFAA
LYS	276	Ubiquitination
LYS	284	Ubiquitination