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Mediation of the A/B-DNA helix transition by G-tracts in the crystal structure of duplex CATGGGCCCATG Export

Nucl. Acids Res., Vol. 30, No. 18. (15 September 2002), pp. 4061-4067.

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dna-ab-exp dna-forms

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The crystal structure of the DNA dodecamer duplex CATGGGCCCATG lies on a structural continuum along the transition between A- and B-DNA. The dodecamer possesses the normal vector plot and inclination values typical of B-DNA, but has the crystal packing, helical twist, groove width, sugar pucker, slide and x-displacement values typical of A-DNA. The structure shows highly ordered water structures, such as a double spine of water molecules against each side of the major groove, stabilizing the GC base pairs in an A-like conformation. The different hydration of GC and AT base pairs provides a physical basis for solvent-dependent facilitation of the AleftrightarrowB helix transition by GC base pairs. Crystal structures of CATGGGCCCATG and other A/B-DNA intermediates support a slide first, roll later' mechanism for the B[->]A helix transition. In the distribution of helical parameters in protein-DNA crystal structures, GpG base steps show A-like properties, reflecting their innate predisposition for the A conformation. 10.1093/nar/gkf515


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