Structural Basis of the Function of Yariv Reagent - An Important Tool to Study Arabinogalactan Proteins

Yariv reagent is a set of organic compounds that bind arabinogalactan proteins via ß-D-(1-&gt;3)-galactan structures. Structural basis of these complexes is poorly understood. Here we provide the results of a series of molecular dynamics simulations of systems containing ß-D-Gal-Yariv reagent molecules and/or ß-D-(1-&gt;3)-linked<br> tri- or hexasaccharide of galactose. Our motivation was to elucidate structure of Yariv-arabinogalactan assemblies.