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The solution conformation of the Le chi group
M R Wormald1, C J Edge, R A Dwek
1Department of Biochemistry, University of Oxford, U.K.
Biochemical and Biophysical Research Communications
|November 14, 1991
Summary
The study determined the structure of the Lewis X (Le chi) group in Lacto-N-fucopentaose (LNFP) III, revealing a specific conformation. NMR and quantum calculations found no evidence of metal binding or self-assembly for LNFP III.
Area of Science:
- Carbohydrate Chemistry
- Structural Biology
- Computational Chemistry
Background:
- Oligosaccharides play crucial roles in biological processes.
- Understanding the three-dimensional structure of oligosaccharides is essential for elucidating their functions.
- The Lewis X (Le chi) epitope is a key structure in glycobiology.
Purpose of the Study:
- To determine the solution conformation of the Lewis X (Le chi) group within the oligosaccharide Lacto-N-fucopentaose (LNFP) III.
- To investigate the metal binding properties of LNFP III.
- To explore the potential for homotypic oligomer formation of LNFP III.
Main Methods:
- High-resolution 1H Nuclear Magnetic Resonance (NMR) spectroscopy.
- Semi-empirical quantum mechanical calculations.
- NMR spectroscopy for metal binding and oligomerization studies.
Main Results:
- A single, stable conformer for the Lewis X (Le chi) group in LNFP III was identified, characterized by close packing of the Gal and Fuc rings.
- Both NMR spectroscopy and quantum mechanical calculations converged on this specific conformation.
- No evidence was found for LNFP III binding to metal ions.
- No evidence was found for high-affinity homotypic oligomer formation of LNFP III.
Conclusions:
- The Lewis X (Le chi) group in LNFP III adopts a well-defined conformation in solution.
- LNFP III does not appear to bind metal ions or form significant oligomers under the studied conditions.
- These findings contribute to the structural understanding of complex carbohydrates and their interactions.