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 |
|---|---|---|---|---|---|
| TYR | 13 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | PyMOL_Chai1 |
| THR | 353 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
| LYS | 344 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
| SER | 350 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA |