Ligand name: Nicotinamide adenine dinucleotide phosphate
PDB ligand accession: NAP
DrugBank: DB03461
PubChem: 5885;57525501;
ChEMBL: CHEMBL295069
InChI Key: XJLXINKUBYWONI-NNYOXOHSSA-N
SMILES: NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
Drug action: n/a

List of small molecule binding-associated PTMs for Q16698

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	97	Acetylation	PyMOL_AF3	PyMOL_RFAA
LYS	244	Acetylation	PyMOL_AF3	PyMOL_RFAA
LYS	73	Acetylation	PyMOL_AF3	PyMOL_RFAA
LYS	92	Acetylation	PyMOL_AF3	PyMOL_RFAA
LYS	244	Malonylation		PyMOL_RFAA
LYS	97	Malonylation		PyMOL_RFAA
THR	65	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
THR	69	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
SER	90	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
THR	245	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
THR	76	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
THR	99	Phosphorylation	PyMOL_AF3	PyMOL_RFAA
MET	123	Sulfoxidation		PyMOL_RFAA