Ligand name: 7-thionicotinamide-adenine-dinucleotide phosphate
PDB ligand accession: TAP
DrugBank: DB01763
PubChem: 5289437;131704180;
ChEMBL: CHEMBL1236188
InChI Key: OJNFDOAQUXJWED-NNYOXOHSSA-N
SMILES: [H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O
Drug action: n/a

List of small molecule binding-associated PTMs for Q13423

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	1070	Acetylation		PyMOL_RFAA
LYS	1071	Acetylation		PyMOL_RFAA
LYS	1042	Acetylation		PyMOL_RFAA
LYS	939	Succinylation		PyMOL_RFAA PyMOL_RFAA
LYS	1070	Succinylation		PyMOL_RFAA PyMOL_RFAA