caa a22 4500 47713646X CHVBK 20180405111719.0 cr unu---uuuuu 170330e19970601xx s 000 0 eng 10.1023/A:1018358929268 doi (NATIONALLICENCE)springer-10.1023/A:1018358929268 Application of homonuclear 3D NMR experiments and 1D analogs to study the conformation of sialyl Lewisx bound to E-selectin [Elektronische Daten] [Karoline Scheffler, Jean-Robert Brisson, Rüdiger Weisemann, John Magnani, Wei Wong, Beat Ernst, Thomas Peters] The conformation of the sialyl Lewis x tetrasaccharidebound to E-selectin was previously determined from transfer NOE (trNOE)experiments in conjunction with a distance-geometry analysis. However, theorientation of the tetrasaccharide ligand in the binding site of E-selectinis still unknown. It can be predicted that the accurate quantitativeanalysis of all trNOEs, including those originating from spin diffusion, isone key to analyze the orientation of sialyl Lewisx in thebinding pocket of E-selectin. Therefore, we applied homonuclear 3D NMRexperiments and 1D analogs to obtain trNOEs that could not unambiguously beassigned from previous 2D trNOESY spectra, due to severe resonance-signaloverlap. A 3D TOCSY-trNOESY experiment, a 1D TOCSY-trNOESY experiment, and a1D trNOESY-TOCSY experiment of the sialyl Lewisx/E-selectincomplex furnished new interglycosidic trNOEs and provided additionalinformation for the interpretation of trNOEs that have been describedbefore. A 2D trROESY spectrum of the sialyl Lewisx/E-selectincomplex allowed one to identify the amount of spin-diffusion contributionsto trNOEs. Finally, an unambiguous assignment of all trNOEs, and an analysisof spin-diffusion pathways, was obtained, creating a basis for aquantitative analysis of trNOEs in the sialylLewisx/E-selectin complex. Kluwer Academic Publishers, 1997 3D TOCSY-trNOESY nationallicence 1D TOCSY-trNOESY nationallicence 1D trNOESY-TOCSY nationallicence trNOE nationallicence trROE nationallicence E-selectin nationallicence sialyl Lewisx nationallicence Scheffler Karoline Institute for Chemistry, Medical University of Lübeck, Ratzeburger Allee 160, D-23538, Lübeck, Germany aut Brisson Jean-Robert National Research Council, Institute for Biological Sciences, K1A 0R6, Ottawa, ON, Canada aut Weisemann Rüdiger Bruker Analytik GmbH, Silberstreifen, D-76287, Rheinstetten, Germany aut Magnani John Glyco Tech Corporation, 14915 Broschart Road, 20850, Rockville, MD, U.S.A aut Wong Wei Glyco Tech Corporation, 14915 Broschart Road, 20850, Rockville, MD, U.S.A aut Ernst Beat Zentrale Forschungslaboratorien, Rosental, Ciba-Geigy AG, CH-4002, Basel, Switzerland aut Peters Thomas Institute for Chemistry, Medical University of Lübeck, Ratzeburger Allee 160, D-23538, Lübeck, Germany aut Journal of Biomolecular NMR Kluwer Academic Publishers 9/4(1997-06-01), 423-436 0925-2738 9:4<423 1997 9 10858 https://doi.org/10.1023/A:1018358929268 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1018358929268 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Scheffler Karoline Institute for Chemistry, Medical University of Lübeck, Ratzeburger Allee 160, D-23538, Lübeck, Germany aut NATIONALLICENCE 700 1- Brisson Jean-Robert National Research Council, Institute for Biological Sciences, K1A 0R6, Ottawa, ON, Canada aut NATIONALLICENCE 700 1- Weisemann Rüdiger Bruker Analytik GmbH, Silberstreifen, D-76287, Rheinstetten, Germany aut NATIONALLICENCE 700 1- Magnani John Glyco Tech Corporation, 14915 Broschart Road, 20850, Rockville, MD, U.S.A aut NATIONALLICENCE 700 1- Wong Wei Glyco Tech Corporation, 14915 Broschart Road, 20850, Rockville, MD, U.S.A aut NATIONALLICENCE 700 1- Ernst Beat Zentrale Forschungslaboratorien, Rosental, Ciba-Geigy AG, CH-4002, Basel, Switzerland aut NATIONALLICENCE 700 1- Peters Thomas Institute for Chemistry, Medical University of Lübeck, Ratzeburger Allee 160, D-23538, Lübeck, Germany aut NATIONALLICENCE 773 0- Journal of Biomolecular NMR Kluwer Academic Publishers 9/4(1997-06-01), 423-436 0925-2738 9:4<423 1997 9 10858 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer