PDB ligand accession: NAP
DrugBank: DB03461
PubChem: 5885;57525501;
ChEMBL:
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
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 |