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Structural Polymorphism in d(T).d(A)*d(T) Triple Helices

Kiran, MR and Bansal , M (1995) Structural Polymorphism in d(T).d(A)*d(T) Triple Helices. In: Journal of Biomolecular Structure & Dynamics, 13 (3). 493-505 .

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Official URL: http://www.jbsdonline.com/Issue-February-2011-c430...

Abstract

DNA triple helices containing two thymine strands and one adenine strand have been studied, using model building followed by energy minimisation, for different orientations of the third strand resulting from variation in the hydrogen bonding between the Watson-Crick duplex and the third strand and the glycosidic torsion angle in the third strand. Our results show that the structure with a parallel orientation of the third strand, in which the third strand base forms Hoogsteen hydrogen bonds with the adenine base in the Watson-Crick duplex, is energetically the most favourable. An antiparallel orientation of the third strand is also possible, in which the third strand base hydrogen bonds to both the bases in the Watson-Crick duplex. This structure is energetically comparable to the parallel structure. For the parallel triplex a 200ps molecular dynamics simulation starting from two different starting structures indicates that at 300K significant structural heterogeneity exists in this tripler structure. The results are compared with existing structural data on this class of triplexes derived from theoretical and NMR techniques.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Adenine Press.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 28 Jan 2011 07:44
Last Modified: 28 Jan 2011 07:44
URI: http://eprints.iisc.ernet.in/id/eprint/35228

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