Application of homonuclear 3D NMR experiments and 1D analogs to study the conformation of sialyl Lewis(x) bound to E-selectin: J.Biomol.NMR

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TypeArticle
Journal titleJournal of Biomolecular NMR
Volume9
Issue4
Pages423436; # of pages: 14
Subject1D; 2D; 3D; ANALOGS; analysis; assignment; binding; BINDING-SITE; blood group; Carbohydrate Sequence; chemistry; complex; COMPLEXES; Computer Simulation; conformation; Diffusion; DISTANCE GEOMETRY; E-Selectin; Glycosides; homonuclear; Lewis; Lewis Blood Group System; Lewis Blood-Group System; Lewis(x); LIGAND; Magnetic Resonance Spectroscopy; Methods; Models,Molecular; Molecular Conformation; Molecular Sequence Data; NMR; NOE; oligosaccharide; Oligosaccharides; Orientation; PATHWAY; PATHWAYS; sialyl; SITE; SPECTRA; SPIN; Spin diffusion; SPIN-DIFFUSION; Support,Non-U.S.Gov't; SYSTEM; transfer
AbstractThe conformation of the sialyl Lewis(x) tetrasaccharide bound to E-selectin was previously determined from transfer NOE (trNOE) experiments in conjunction with a distance-geometry analysis. However, the orientation of the tetrasaccharide ligand in the binding site of E-selectin is still unknown. It can be predicted that the accurate quantitative analysis of all trNOEs, including those originating from spin diffusion, is one key to analyze the orientation of sialyl Lewis(x) in the binding pocket of E-selectin. Therefore, we applied homonuclear 3D NMR experiments and 1D analogs to obtain trNOEs that could not unambiguously be assigned from previous 2D trNOESY spectra, due to severe resonance-signal overlap. A 3D TOCSY-trNOESY experiment, a 1D TOCSY-trNOESY experiment, and a 1D trNOESY-TOCSY experiment of the sialyl Lewis(x)/E-selectin complex furnished new interglycosidic trNOEs and provided additional information for the interpretation of trNOEs that have been described before. A 2D trROESY spectrum of the sialyl Lewis(x)/E-selectin complex allowed one to identify the amount of spin-diffusion contributions to trNOEs. Finally, an unambiguous assignment of all trNOEs, and an analysis of spin-diffusion pathways, was obtained, creating a basis for a quantitative analysis of trNOEs in the sialyl Lewis(x)/E-selectin complex
Publication date
LanguageEnglish
AffiliationNRC Institute for Biological Sciences; National Research Council Canada
Peer reviewedNo
NRC numberSCHEFFLER1997
NPARC number9378390
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Record identifierb823e952-b6ba-4498-ba3b-942fc0cef979
Record created2009-07-10
Record modified2016-05-09
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