Ligand name: Flavin adenine dinucleotide
PDB ligand accession: FAD
DrugBank: DB03147
PubChem: 643975
ChEMBL: CHEMBL1232653
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

List of small molecule binding-associated PTMs for P00390

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