Determination of the Bioactive Conformation of the Carbohydrate Ligand in the E‐Selectin/Sialyl LewisX Complex

Thomas Peters*, Karoline Scheffler, Beat Ernst, Andreas Katopodis, John L. Magnani, Wey Tong Wang, Rüdiger Weisemann

*Corresponding author for this work
124 Citations (Scopus)


A mixture of different conformers of the flexible tetrasaccharide sialyl Lewisx is presented in solution to the E‐selectin receptor, which binds only one conformation, as shown by NMR spectroscopy. The experimentally determined transfer NOEs can be used to derive proton–proton distance restrictions, which together with the confomer ensemble obtained by Metropolis Monte Carlo simulations, can be used to determine the conformation of sialyl Lewisx in the complexed state. (Figure Presented.)

Original languageEnglish
JournalAngewandte Chemie International Edition in English
Issue number17
Pages (from-to)1841-1844
Number of pages4
Publication statusPublished - 15.09.1995

Cite this