PDB ligand accession: GTA
DrugBank: DB01649
PubChem: 446336;5288477;135415790;
ChEMBL: n/a
InChI Key: QQOHNVHGNZYSBP-XPWFQUROSA-O
SMILES: CN1C=[N+]([C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 108 | Acetylation | PyMOL_RFAA | ||
LYS | 159 | Acetylation | PyMOL_RFAA | ||
LYS | 162 | Acetylation | PyMOL_RFAA | ||
LYS | 206 | Malonylation | PyMOL_RFAA | ||
THR | 203 | Phosphorylation | PyMOL_RFAA | ||
SER | 207 | Phosphorylation | PyMOL_RFAA | ||
SER | 209 | Phosphorylation | PyMOL_RFAA | ||
THR | 210 | Phosphorylation | PyMOL_RFAA | ||
THR | 211 | Phosphorylation | PyMOL_RFAA | ||
SER | 199 | Phosphorylation | PyMOL_RFAA | ||
THR | 205 | Phosphorylation | PyMOL_RFAA | ||
THR | 55 | Phosphorylation | PyMOL_RFAA | ||
SER | 92 | Phosphorylation | PyMOL_RFAA | ||
MET | 101 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 159 | Ubiquitination |