PDB ligand accession: XMP
DrugBank: DB02309
PubChem: n/a
ChEMBL: n/a
InChI Key: XHDARDSMKMUDDI-UUOKFMHZSA-O
SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CNC2=C1NC(=O)NC2=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 39 | Acetylation | PyMOL_RFAA | ||
CYS | 101 | Glutathionylation | PyMOL_RFAA | ||
CYS | 146 | Glutathionylation | PyMOL_RFAA | ||
LYS | 66 | Malonylation | PyMOL_RFAA | ||
SER | 34 | Phosphorylation | PyMOL_RFAA | ||
THR | 37 | Phosphorylation | PyMOL_RFAA | ||
SER | 52 | Phosphorylation | PyMOL_RFAA | ||
TYR | 104 | Phosphorylation | PyMOL_Chai1 | ||
SER | 10 | Phosphorylation | PyMOL_RFAA | ||
THR | 67 | Phosphorylation | PyMOL_RFAA | ||
SER | 12 | Phosphorylation | PyMOL_RFAA | ||
MET | 60 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 14 | Ubiquitination | |||
LYS | 39 | Ubiquitination | |||
LYS | 66 | Ubiquitination |