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 | 97 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
LYS | 110 | Acetylation | PyMOL_AF3 | PyMOL_RFAA | |
CYS | 107 | Glutathionylation | PyMOL_RFAA | ||
CYS | 377 | Glutathionylation | PyMOL_RFAA | ||
TYR | 158 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
THR | 383 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
TYR | 408 | Phosphorylation | PyMOL_AF3 | PyMOL_Chai1 | |
THR | 101 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
SER | 187 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA | |
CYS | 107 | S-nitrosylation | PyMOL_AF3 | PyMOL_RFAA | |
CYS | 377 | S-nitrosylation | PyMOL_AF3 | PyMOL_RFAA | |
LYS | 340 | Ubiquitination | |||
THR | 513 | Phosphorylation | PyMOL_AF3 | PyMOL_RFAA |