PDB ligand accession: Z5A
DrugBank: DB03845
PubChem: 5289614;131704260;
ChEMBL: n/a
InChI Key: QNIWSXQXLJIUJW-SLFMBYJQSA-I
SMILES: [H][C@@]1(C[C@]([H])(N=[N+]=[N-])[C@@]([H])(COP([O-])(=O)OP([O-])(=O)OP(O)(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O1)N1C=C(C)C([O-])=NC1=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 25 | Acetylation | PyMOL_RFAA | ||
| LYS | 182 | Acetylation | PyMOL_RFAA | ||
| SER | 54 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 151 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 183 | Phosphorylation | PyMOL_RFAA | ||
| THR | 106 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 56 | Phosphorylation | PyMOL_Chai1 |