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 P54819

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	28	Acetylation			PyMOL_Chai1
LYS	72	Acetylation		PyMOL_RFAA
LYS	28	Malonylation		PyMOL_RFAA
THR	46	Phosphorylation		PyMOL_RFAA
SER	75	Phosphorylation		PyMOL_RFAA
SER	151	Phosphorylation		PyMOL_RFAA
TYR	152	Phosphorylation			PyMOL_Chai1
SER	176	Phosphorylation		PyMOL_RFAA
TYR	190	Phosphorylation			PyMOL_Chai1
THR	194	Phosphorylation		PyMOL_RFAA
SER	213	Phosphorylation		PyMOL_RFAA
THR	215	Phosphorylation		PyMOL_RFAA
THR	30	Phosphorylation		PyMOL_RFAA
THR	67	Phosphorylation		PyMOL_RFAA
MET	78	Sulfoxidation		PyMOL_RFAA
LYS	93	Acetylation		PyMOL_RFAA
CYS	42	Glutathionylation		PyMOL_RFAA
SER	148	Phosphorylation		PyMOL_RFAA
CYS	40	S-nitrosylation		PyMOL_RFAA
CYS	42	S-nitrosylation		PyMOL_RFAA
LYS	93	Succinylation		PyMOL_RFAA PyMOL_RFAA
LYS	93	Ubiquitination