Premium
Determination of the Bioactive Conformation of the Carbohydrate Ligand in the E‐Selectin/Sialyl Lewis X Complex
Author(s) -
Peters Thomas,
Scheffler Karoline,
Ernst Beat,
Katopodis Andreas,
Magnani John L.,
Wang Wey Tong,
Weisemann Rüdiger
Publication year - 1995
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199518411
Subject(s) - sialyl lewis x , selectin , ligand (biochemistry) , carbohydrate , chemistry , lewis acids and bases , e selectin , stereochemistry , biochemistry , cell adhesion , adhesion , organic chemistry , cell , catalysis , receptor
A mixture of different conformers of the flexible tetrasaccharide sialyl Lewis x 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 Lewis x in the complexed state.