PDB ligand accession: ATP
DrugBank: DB00171
PubChem:
ChEMBL:
InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES: NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | |||
LYS | 107 | Malonylation | |||
ARG | 177 | Methylation | |||
TYR | 33 | Phosphorylation | |||
SER | 45 | Phosphorylation | |||
SER | 48 | Phosphorylation | |||
THR | 89 | Phosphorylation | |||
THR | 94 | Phosphorylation | |||
THR | 104 | Phosphorylation | |||
SER | 108 | Phosphorylation | |||
SER | 391 | Phosphorylation | |||
THR | 110 | Phosphorylation | |||
THR | 179 | Phosphorylation | |||
MET | 93 | Sulfoxidation | |||
MET | 114 | Sulfoxidation | |||
MET | 125 | Sulfoxidation | |||
LYS | 53 | Ubiquitination | |||
LYS | 107 | Ubiquitination | |||
LYS | 148 | Ubiquitination | |||
LYS | 180 | Ubiquitination | |||
LYS | 72 | Acetylation | |||
LYS | 72 | Succinylation |