Proposal of a new hydrogen-bonding form to maintain curdlan triple helix

Kentaro Miyoshi, Kazuya Uezu, Kazuo Sakurai, Seiji Shinkai

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82 Citations (Scopus)


Curdlan and other β-1,3-D-glucans form right-handed triple helices, and it has been believed that the intermolecular H-bond is present at the center of the helix to maintain the structure. In this H-bond model, three secondary OH groups form an inequilateral hexagonal shape perpendicular to the helix axis. This hexagonal form seems to be characteristic for β-1,3-D-glucans and is widely accepted. We carried out MOPAC and ab initio calculations for the curdlan helix, and we propose a new intermolecular H-bonding model. In our model, the H-bonds are formed between the O(2)-atoms on different x-y planes along the curdlan helix, hence the H-bonds are not perpendicular to the helix axis. The new H-bonds are connected along the helix, traversing three curdlan chains to make a left-handed helix. Therefore, the H-bonding array leads to a reverse helix of the main chain. According to our MOPAC calculation, this model is more stable than the previous one. We believe that the continuous H-bonding array is stabilized by cooperative phenomena in the polymeric system.

Original languageEnglish
Pages (from-to)916-924
Number of pages9
JournalChemistry and Biodiversity
Issue number6
Publication statusPublished - 2004
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Bioengineering
  • Biochemistry
  • General Chemistry
  • Molecular Medicine
  • Molecular Biology


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