1wqy
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X-RAY structural analysis of B-DNA decamer D(CCATTAATGG)2 crystal grown in D2O solution
OverviewOverview
It has long been suspected that the structure and function of a DNA duplex can be strongly dependent on its degree of hydration. By neutron diffraction experiments, we have succeeded in determining most of the hydrogen (H) and deuterium (D) atomic positions in the decameric d(CCATTAATGG)2 duplex. Moreover, the D positions in 27 D2O molecules have been determined. In particular, the complex water network in the minor groove has been observed in detail. By a combined structural analysis using 2.0 A resolution X-ray and 3.0 A resolution neutron data, it is clear that the spine of hydration is built up, not only by a simple hexagonal hydration pattern (as reported in earlier X-ray studies), but also by many other water bridges hydrogen-bonded to the DNA strands. The complexity of the hydration pattern in the minor groove is derived from an extraordinary variety of orientations displayed by the water molecules.
About this StructureAbout this Structure
1WQY is a Protein complex structure of sequences from [1] with as ligand. Full crystallographic information is available from OCA.
ReferenceReference
Complicated water orientations in the minor groove of the B-DNA decamer d(CCATTAATGG)2 observed by neutron diffraction measurements., Arai S, Chatake T, Ohhara T, Kurihara K, Tanaka I, Suzuki N, Fujimoto Z, Mizuno H, Niimura N, Nucleic Acids Res. 2005 May 24;33(9):3017-24. Print 2005. PMID:15914673
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