title: Identification of the ligand in the structure of the protein with unknown function STM4435 from Salmonella typhimurium.
abstract: The unidentified ligand, which is present in the crystal of the protein with unknown function STM4435 from Salmonella typhimurium, was identified using a combination of high-resolution X-ray crystallography and accurate-mass time-of-flight mass spectrometry. The identified glycerol was present as a component of the solutions used for the isolation and crystallization of the protein and serves as the ligand mimicking the natural metabolite, presumably, 2-keto-myo-isonitol, which is indicative of the involvement of STM4435 in the myo-isonitol catabolism. The results of the present study show that this approach holds promise in complex studies aimed at determining, refining, or confirming the protein functions.
authors.affiliation: Bach Institute of Biochemistry, Russian Academy of Sciences, Leninskii pr. 33, Moscow, 119071, Russia, kmb@inbi.ras.ru.
authors.forename: K M
authors.initials: KM
authors.lastname: Boyko
authors.forename: M A
authors.initials: MA
authors.lastname: Gorbacheva
authors.forename: T V
authors.initials: TV
authors.lastname: Rakitina
authors.forename: D A
authors.initials: DA
authors.lastname: Korzhenevsky
authors.forename: P V
authors.initials: PV
authors.lastname: Dorovatovsky
authors.forename: A V
authors.initials: AV
authors.lastname: Lipkin
authors.forename: V O
authors.initials: VO
authors.lastname: Popov
mesh_terms: D000595:Amino Acid Sequence; D001426:Bacterial Proteins / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D008024:Ligands; D008969:Molecular Sequence Data; D011485:Protein Binding; D012486:Salmonella typhimurium / Q000737:chemistry* / Q000378:metabolism
chemical_list: D001426:Bacterial Proteins; D008024:Ligands