PDB ligand accession: DGT
DrugBank: DB02181
PubChem: 65103;5280333;135398599;
ChEMBL:
InChI Key: HAAZLUGHYHWQIW-KVQBGUIXSA-N
SMILES: NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 12 | Acetylation | PyMOL_RFAA | ||
LYS | 56 | Acetylation | PyMOL_RFAA | ||
LYS | 66 | Acetylation | PyMOL_RFAA | ||
LYS | 85 | Acetylation | PyMOL_RFAA | ||
CYS | 109 | Glutathionylation | PyMOL_RFAA | ||
ARG | 58 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
TYR | 52 | Phosphorylation | PyMOL_Chai1 | ||
THR | 94 | Phosphorylation | PyMOL_RFAA | ||
SER | 99 | Phosphorylation | PyMOL_RFAA | ||
SER | 120 | Phosphorylation | PyMOL_RFAA | ||
SER | 122 | Phosphorylation | PyMOL_RFAA | ||
SER | 125 | Phosphorylation | PyMOL_RFAA | ||
THR | 7 | Phosphorylation | PyMOL_RFAA | ||
CYS | 109 | S-palmitoylation | PyMOL_RFAA | ||
LYS | 56 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
LYS | 56 | Sumoylation | |||
LYS | 12 | Ubiquitination | |||
LYS | 56 | Ubiquitination | |||
LYS | 85 | Ubiquitination |