177d

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SOLUTION STRUCTURE AND HYDRATION PATTERNS OF A PYRIMIDINE(DOT)PURINE(DOT)PYRIMIDINE DNA TRIPLEX CONTAINING A NOVEL T(DOT)CG TRIPLE

Overview

The solution structure of a pyrimidine.purine.pyrimidine DNA triplex, containing a novel T.CG base-triple has been determined via two and, three-dimensional NMR spectroscopy and restrained molecular dynamics, simulations incorporating explicit solvent and counter-ions. The T.CG, triple, which expands the triplex code, is stabilized by a single hydrogen, bond between the O-2 atom of thymine and the free amino proton of cytosine, in the Watson-Crick C.G base-pair. This hydrogen bonding alignment, produces large variations in helical twist at the dinucleotide steps, involving the thymine residue. Localized structural perturbations in the, purine-rich strand of the molecule are observed around the cytosine, residue in the T.CG triple. Globally, the triplex resembles the solution, structure of a previously solved pyrimidine.purine.pyrimidine DNA triplex, containing an unusual G.TA triple. Also conserved are the sites and, patterns of hydration in the two triplexes.

About this Structure

177D is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

Solution structure and hydration patterns of a pyrimidine.purine.pyrimidine DNA triplex containing a novel T.CG base-triple., Radhakrishnan I, Patel DJ, J Mol Biol. 1994 Aug 26;241(4):600-19. PMID:8057381

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