PDB ligand accession: THF
DrugBank: DB02800
PubChem: 5289464;6323516;135403828;
ChEMBL: n/a
InChI Key: IIEPLRAFVCMHQF-STQMWFEESA-N
SMILES: NC1=NC2=C(N(CO)[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 157 | Acetylation | PyMOL_RFAA | ||
| LYS | 158 | Acetylation | PyMOL_RFAA | ||
| LYS | 386 | Acetylation | PyMOL_RFAA | ||
| SER | 161 | Phosphorylation | PyMOL_RFAA | ||
| THR | 202 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 205 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 121 | Phosphorylation | PyMOL_RFAA | ||
| THR | 150 | Phosphorylation | PyMOL_RFAA | ||
| THR | 155 | Phosphorylation | PyMOL_RFAA | ||
| SER | 164 | Phosphorylation | PyMOL_RFAA | ||
| SER | 203 | Phosphorylation | PyMOL_RFAA | ||
| SER | 206 | Phosphorylation | PyMOL_RFAA | ||
| THR | 388 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 53 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 386 | Ubiquitination | |||
| LYS | 157 | Ubiquitination | |||
| TYR | 73 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 74 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 77 | Phosphorylation | PyMOL_Chai1 |