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 |
---|---|---|---|---|---|
LYS | 72 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
LYS | 155 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
LYS | 166 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
LYS | 320 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
LYS | 166 | Malonylation | PyMOL_RFAA | ||
THR | 45 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
TYR | 153 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
SER | 208 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
SER | 49 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
TYR | 54 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
SER | 88 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
LYS | 166 | Ubiquitination | |||
LYS | 320 | Ubiquitination | |||
CYS | 484 | Glutathionylation | PyMOL_RFAA | ||
LYS | 127 | Acetylation | PyMOL_AF3 | PyMOL_RFAA |