Conformational studies on β-D-(1→3)-linked xylan

Sathyanarayana, B. K. ; Rao, V. S. R. (1970) Conformational studies on β-D-(1→3)-linked xylan Carbohydrate Research, 15 (1). pp. 137-145. ISSN 0008-6215

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The "nonbonded" interaction-energy is computed for a pair of D-xylose residues joined through a β -(1→ 3) linkages, and also for the helical xylan chain, as a function of (Φ , Ψ )-the dihedral angles of rotation of the pyranose residues about the inter-residue glycosidic bonds C-1-O and O-C-3'. The conformational map reveals that rotation of the pyranose residues in the polymer chain is highly restricted. The two- and three-strand models proposed for a β -D-(1→ 3)-linked xylan from X-ray studies have been examined. The individual strands for a double-helical model have lower energies than those in the triple-helical model. However the triple-strand models have the minimum energy if the interstrand interactions are considered. Even though the right- and left-handed, triple-helical conformations have about equal energy (-7.0 kcal.mole-1 per residue), the right-handed triple helix is favoured over the left because of the additional possibility in the former of weak hydrogen bonds between strands through water molecules.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
ID Code:53062
Deposited On:04 Aug 2011 14:51
Last Modified:04 Aug 2011 14:51

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