Structure and hydration of the amylopectin trisaccharide building blocks--Synthesis, NMR, and molecular dynamics

Biopolymers
Peter I HansenSøren B Engelsen

Abstract

To gain insight into the molecular details and hydration of amylopectin, the five constituting trisaccharides have been chemically synthesized as their methyl alpha-glycosides. All five trisaccharides were subjected to 950 MHz NMR spectroscopy for complete assignment and nanosecond molecular dynamics trajectories were calculated to study the structure and dynamics of the trisaccharides in aqueous solution. Systematic analysis of the simulation data revealed several examples of bridging water molecules playing an important role in the stabilization of specific amylopectin conformations, which was also supported by the experimental NMR data such as interresidue NOE's and heteronuclear scalar couplings between nuclei from neighboring residues. Although alpha-maltotriose, alpha-iso-maltotriose, alpha-panose and alpha-isopanose are relatively well characterized structures, the study also includes one less characterized trisaccharide with the structure alphaGlcp(1-->4)alphaGlcp(1-->6)alphaGlcp. This trisaccharide, tentatively labelled alpha-forkose, is located at the branch point of amylopectin, forking the amylopectin into two strands that align into double-helical segments. The results show that the conformation of alpha-forkose ta...Continue Reading

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Citations

Oct 19, 2011·Journal of Agricultural and Food Chemistry·Flemming H LarsenGunilla Lindahl
Mar 6, 2013·The Journal of Physical Chemistry. a·Hiroshi KimuraNobuyuki Matubayasi
Aug 4, 2010·Proceedings of the National Academy of Sciences of the United States of America·Craig W Vander KooiMatthew S Gentry
Feb 13, 2010·Trends in Plant Science·Andreas Blennow, Søren B Engelsen
Jul 28, 2009·Carbohydrate Research·Wenhui ZhangAnthony S Serianni
Nov 28, 2013·Carbohydrate Polymers·Chao LiYoung-Wan Kim
Jun 25, 2014·Carbohydrate Research·Bent O PetersenSebastian Meier
Mar 5, 2016·The FEBS Journal·David A MeekinsMatthew S Gentry
Apr 30, 2017·Applied and Environmental Microbiology·Philippe JoyetNicolas Sauvageot
Aug 9, 2016·Current Opinion in Structural Biology·Matthew S GentryCraig W Vander Kooi
Dec 4, 2010·Journal of Agricultural and Food Chemistry·Xiaowen LvYuchang Qin

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