title: Dynamics of the glycosidic bond: conformational space of lactose.
abstract: The dynamics of the glycosidic bond of lactose was studied by a paramagnetic tagging-based NMR technique, which allowed the collection of an unusually large series of NMR data for a single compound. By the use of distance- and orientation-dependent residual dipolar couplings and pseudocontact shifts, the simultaneous fitting of the probabilities of computed conformations and the orientation of the magnetic susceptibility tensor of a series of lanthanide complexes of lactose show that its glycosidic bond samples syn/syn, anti/syn and syn/anti ϕ/ψ regions of the conformational space in water. The analysis indicates a higher reliability of pseudocontact shift data as compared to residual dipolar couplings with the presently available weakly orienting paramagnetic tagging technique. The method presented herein allows for an improved understanding of the dynamic behaviour of oligosaccharides.
authors.affiliation: NMR-Based Structural Biology, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany.
authors.forename: Máté
authors.initials: M
authors.lastname: Erdélyi
authors.forename: Edward
authors.initials: E
authors.lastname: d'Auvergne
authors.forename: Armando
authors.initials: A
authors.lastname: Navarro-Vázquez
authors.forename: Andrei
authors.initials: A
authors.lastname: Leonov
authors.forename: Christian
authors.initials: C
authors.lastname: Griesinger
mesh_terms: D002236:Carbohydrate Conformation; D002614:Chelating Agents / Q000737:chemistry / Q000378:metabolism; D002625:Chemistry, Organic / Q000379:methods*; D018360:Crystallography, X-Ray; D004492:Edetic Acid / Q000737:chemistry / Q000378:metabolism; D007785:Lactose / Q000737:chemistry* / Q000378:metabolism; D028581:Lanthanoid Series Elements / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D015335:Molecular Probes / Q000737:chemistry* / Q000378:metabolism; D019906:Nuclear Magnetic Resonance, Biomolecular; D015203:Reproducibility of Results; D013194:Staining and Labeling / Q000379:methods*; D013816:Thermodynamics
chemical_list: D002614:Chelating Agents; D028581:Lanthanoid Series Elements; D015335:Molecular Probes; D004492:Edetic Acid; D007785:Lactose