title: The alpha-(1-->6) glycosidic linkage as a novel conformational entropic regulator in osmoregulated periplasmic alpha-cyclosophorohexadecaose.
abstract: Molecular dynamics simulations were performed to explain the conformational effect of an alpha-(1-->6)-glycosidic linkage upon the cyclic osmoregulated periplasmic glucan (OPG) produced by Xanthomonas campestris pv. citri. We suggest that a single alpha-(1-->6)-glycosidic linkage in cyclic OPG functions as a novel entropic regulator, which reduces the conformational entropy of cyclic OPG and increases the motional entropy of solvent water molecules.
authors.affiliation: Department of Microbial Engineering, Bio/Molecular Informatics Center, Konkuk University, 1 Hwayang-dong, Gwangjin-gu, Seoul 143-701, South Korea.
authors.forename: Youngjin
authors.initials: Y
authors.lastname: Choi
authors.forename: Seunho
authors.initials: S
authors.lastname: Jung
mesh_terms: D002236:Carbohydrate Conformation; D003198:Computer Simulation; D019277:Entropy; D005936:Glucans; D006027:Glycosides / Q000737:chemistry* / Q000502:physiology*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D015394:Molecular Structure; D014867:Water / Q000737:chemistry; D014882:Water-Electrolyte Balance; D047391:alpha-Cyclodextrins / Q000737:chemistry*
chemical_list: D005936:Glucans; D006027:Glycosides; D047391:alpha-Cyclodextrins; C098291:alpha-cyclosophorohexadecaose; D014867:Water