PDB ligand accession: GSP
DrugBank: DB01864
PubChem: 37792;444121;5280465;135398675;135450576;
ChEMBL:
InChI Key: XOFLBQFBSOEHOG-UUOKFMHZSA-N
SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]2O)C(=O)N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 24 | Acetylation | PyMOL_RFAA | ||
LYS | 24 | Methylation | PyMOL_RFAA PyMOL_RFAA | ||
SER | 20 | Phosphorylation | PyMOL_RFAA | ||
SER | 42 | Phosphorylation | PyMOL_RFAA | ||
THR | 43 | Phosphorylation | PyMOL_RFAA | ||
THR | 98 | Phosphorylation | PyMOL_RFAA | ||
SER | 40 | Phosphorylation | PyMOL_RFAA | ||
SER | 126 | Phosphorylation | PyMOL_RFAA | ||
TYR | 80 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 24 | Ubiquitination | |||
TYR | 73 | Phosphorylation | PyMOL_Chai1 | ||
THR | 77 | Phosphorylation | PyMOL_RFAA |