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 P15121

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 243 Acetylation PyMOL_AF3 PyMOL_RFAA
LYS 263 Acetylation PyMOL_AF3 PyMOL_RFAA
LYS 22 Acetylation PyMOL_AF3 PyMOL_RFAA
CYS 299 Glutathionylation PyMOL_RFAA
LYS 263 Malonylation PyMOL_RFAA
THR 20 Phosphorylation PyMOL_AF3 PyMOL_RFAA
SER 23 Phosphorylation PyMOL_AF3 PyMOL_RFAA
TYR 40 Phosphorylation PyMOL_AF3 PyMOL_Chai1
TYR 49 Phosphorylation PyMOL_AF3 PyMOL_Chai1
SER 77 Phosphorylation PyMOL_AF3 PyMOL_RFAA
SER 211 Phosphorylation PyMOL_AF3 PyMOL_RFAA
SER 215 Phosphorylation PyMOL_AF3 PyMOL_RFAA
SER 264 Phosphorylation PyMOL_AF3 PyMOL_RFAA
THR 266 Phosphorylation PyMOL_AF3 PyMOL_RFAA
TYR 210 Phosphorylation PyMOL_AF3 PyMOL_Chai1
THR 244 Phosphorylation PyMOL_AF3 PyMOL_RFAA
THR 208 Phosphorylation PyMOL_AF3 PyMOL_RFAA
SER 227 Phosphorylation PyMOL_AF3 PyMOL_RFAA
THR 245 Phosphorylation PyMOL_AF3 PyMOL_RFAA
CYS 299 S-nitrosylation PyMOL_AF3 PyMOL_RFAA
LYS 263 Ubiquitination
TYR 108 Phosphorylation PyMOL_AF3 PyMOL_Chai1
LYS 27 Acetylation
TYR 47 Phosphorylation
LYS 243 Ubiquitination
LYS 78 Ubiquitination
LYS 27 Ubiquitination
LYS 22 Ubiquitination
LYS 12 Acetylation PyMOL_AF3 PyMOL_RFAA
SER 202 Phosphorylation PyMOL_AF3 PyMOL_RFAA
LYS 179 Succinylation PyMOL_RFAA PyMOL_RFAA
LYS 12 Ubiquitination
TYR 190 Phosphorylation PyMOL_AF3 PyMOL_Chai1