title: NMR and Molecular Recognition of N-Glycans: Remote Modifications of the Saccharide Chain Modulate Binding Features.
abstract: Glycans play a key role as recognition elements in the communication of cells and other organisms. Thus, the analysis of carbohydrate-protein interactions has gained significant importance. In particular, nuclear magnetic resonance (NMR) techniques are considered powerful tools to detect relevant features in the interaction between sugars and their natural receptors. Here, we present the results obtained in the study on the molecular recognition of different mannose-containing glycans by Pisum sativum agglutinin. NMR experiments supported by Corcema-ST analysis, isothermal titration calorimetry (ITC) experiments, and molecular dynamics (MD) protocols have been successfully applied to unmask important binding features and especially to determine how a remote branching substituent significantly alters the binding mode of the sugar entity. These results highlight the key influence of common structural modifications in natural glycans on molecular recognition processes and underscore their importance for the development of biomedical applications.
authors.affiliation: Molecular Recognition & Host-Pathogen Interactions Unit, CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain.
authors.forename: Ana
authors.initials: A
authors.lastname: Gimeno
authors.affiliation: Glycotechnology Laboratory, CIC biomaGUNE , Paseo Miramón 182, 20014 San Sebastián, Spain.|CIBER-BBN , Paseo Miramón 182, 20014 San Sebastián, Spain.
authors.forename: Niels-Christian
authors.initials: NC
authors.lastname: Reichardt
authors.affiliation: Chemical and Physical Biology, CIB-CSIC , Ramiro de Maeztu 9, 28040 Madrid, Spain.
authors.forename: F Javier
authors.initials: FJ
authors.lastname: Cañada
authors.affiliation: Bioorganic Chemistry, Gebäude NWI, Universität Bayreuth , 95440 Bayreuth, Germany.
authors.forename: Lukas
authors.initials: L
authors.lastname: Perkams
authors.affiliation: Bioorganic Chemistry, Gebäude NWI, Universität Bayreuth , 95440 Bayreuth, Germany.
authors.forename: Carlo
authors.initials: C
authors.lastname: Unverzagt
authors.affiliation: Molecular Recognition & Host-Pathogen Interactions Unit, CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain.|Ikerbasque, Basque Foundation for Science , Maria Diaz de Haro 13, 48009 Bilbao, Spain.|Department of Organic Chemistry II, Faculty of Science & Technology, University of the Basque Country , 48940 Leioa, Bizkaia, Spain.
authors.forename: Jesús
authors.identifier: 0000-0001-5421-8513
authors.initials: J
authors.lastname: Jiménez-Barbero
authors.affiliation: Molecular Recognition & Host-Pathogen Interactions Unit, CIC bioGUNE , Bizkaia Technology Park, Building 801A, 48170 Derio, Spain.
authors.forename: Ana
authors.initials: A
authors.lastname: Ardá
mesh_terms: D001665:Binding Sites; D002151:Calorimetry; D002236:Carbohydrate Conformation; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D009844:Oligosaccharides / Q000737:chemistry*; D011134:Polysaccharides / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D009844:Oligosaccharides; D011134:Polysaccharides