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 |
---|---|---|---|---|---|
THR | 604 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
SER | 466 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
SER | 492 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
SER | 660 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
TYR | 515 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
SER | 549 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
THR | 582 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
THR | 547 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
THR | 1246 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
SER | 1248 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 |