Ligand name: Bis(Adenosine)-5'-Pentaphosphate
PDB ligand accession: AP5
DrugBank: DB01717
PubChem: 440210
ChEMBL: CHEMBL437508
InChI Key: OIMACDRJUANHTJ-XPWFQUROSA-N
SMILES: [H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
Drug action: n/a

List of small molecule binding-associated PTMs for P00568

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	21	Acetylation		PyMOL_RFAA
LYS	27	Acetylation		PyMOL_RFAA
LYS	21	Malonylation		PyMOL_RFAA
SER	19	Phosphorylation		PyMOL_RFAA
SER	38	Phosphorylation		PyMOL_RFAA
THR	71	Phosphorylation		PyMOL_RFAA
THR	145	Phosphorylation		PyMOL_RFAA
TYR	153	Phosphorylation			PyMOL_Chai1
SER	178	Phosphorylation		PyMOL_RFAA
SER	181	Phosphorylation		PyMOL_RFAA
TYR	154	Phosphorylation			PyMOL_Chai1
THR	39	Phosphorylation		PyMOL_RFAA
THR	152	Phosphorylation		PyMOL_RFAA
THR	157	Phosphorylation		PyMOL_RFAA
SER	58	Phosphorylation		PyMOL_RFAA
CYS	25	S-nitrosylation		PyMOL_RFAA
MET	75	Sulfoxidation		PyMOL_RFAA