PDB ligand accession: FAD
DrugBank: DB03147
PubChem:
ChEMBL:
InChI Key: VWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES: CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 400 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
TYR | 397 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
THR | 403 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
SER | 320 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
TYR | 302 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
LYS | 173 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
LYS | 226 | Acetylation | |||
LYS | 226 | Malonylation | |||
SER | 227 | Phosphorylation | |||
SER | 248 | Phosphorylation | |||
LYS | 301 | Succinylation | |||
MET | 261 | Sulfoxidation | |||
LYS | 226 | Ubiquitination |