title: Insights into the dynamics and molecular recognition features of glycopeptides by protein receptors: the 3D solution structure of hevein bound to the trisaccharide core of N-glycoproteins.
abstract: Protein-carbohydrate interactions are at the heart of a variety of essential molecular recognition events. Hevein, a model lectin related to the superantigen family, recognizes the trisaccharide core of N-glycoproteins (1). A combined approach of NMR spectroscopy and molecular modeling has permitted us to demonstrate that an Asn-linked Man(GlcNAc)(2) (2) is bound with even higher affinity than (GlcNAc)(3). The molecular recognition process entails conformational selection of only one of the possibilities existing for chitooligosaccharides. The deduced 3D structure of the hevein/2 complex permits the extension of polypeptide chains from the Asn moiety of 2, as well as glycosylation at Man O-3 and Man O-6 of the terminal sugar. Given the ubiquity of the Man(GlcNAc)(2) core in all mammalian N-glycoproteins, the basic recognition mode presented herein might be extended to a variety of systems with biomedical importance.
authors.affiliation: Chemical and Physical Biology, Centro de Investigaciones Biológicas, CSIC, Ramiro de Maeztu 9, 28040 Madrid, Spain.
authors.forename: José Juan
authors.initials: JJ
authors.lastname: Hernández-Gay
authors.forename: Ana
authors.initials: A
authors.lastname: Ardá
authors.forename: Steffen
authors.initials: S
authors.lastname: Eller
authors.forename: Stefano
authors.initials: S
authors.lastname: Mezzato
authors.forename: Bas R
authors.initials: BR
authors.lastname: Leeflang
authors.forename: Carlo
authors.initials: C
authors.lastname: Unverzagt
authors.forename: F Javier
authors.initials: FJ
authors.lastname: Cañada
authors.forename: Jesús
authors.initials: J
authors.lastname: Jiménez-Barbero
mesh_terms: D000485:Allergens / Q000737:chemistry* / Q000378:metabolism; D023181:Antimicrobial Cationic Peptides / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D002241:Carbohydrates / Q000737:chemistry*; D006020:Glycopeptides / Q000737:chemistry* / Q000378:metabolism; D006023:Glycoproteins / Q000737:chemistry*; D006801:Humans; D037102:Lectins / Q000737:chemistry* / Q000378:metabolism; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D008969:Molecular Sequence Data; D037121:Plant Lectins / Q000737:chemistry* / Q000378:metabolism; D010940:Plant Proteins / Q000737:chemistry* / Q000378:metabolism; D013237:Stereoisomerism; D013696:Temperature; D013816:Thermodynamics; D014312:Trisaccharides / Q000737:chemistry* / Q000378:metabolism
chemical_list: D000485:Allergens; D023181:Antimicrobial Cationic Peptides; D002241:Carbohydrates; D006020:Glycopeptides; D006023:Glycoproteins; D037102:Lectins; D037121:Plant Lectins; D010940:Plant Proteins; D014312:Trisaccharides; C045875:hevein