J Mol Biol. 1992 Aug 20;226(4):1161-73.

Molecular structure of the B-DNA dodecamer d(CGCAAATTTGCG)2. An examination of propeller twist and minor-groove water structure at 2.2 A resolution.

Edwards KJ, Brown DG, Spink N, Skelly JV, Neidle S.

Source

Cancer Research Campaign Biomolecular Structure Unit, Institute of Cancer Research, Sutton, Surrey, U.K.

Abstract

The crystal structure of the dodecanucleotide duplex d(CGCAAATTTGCG)2 has been solved to 2.2 A resolution and refined to an R-factor of 18.1% with the inclusion of 71 water molecules. The structure shows propeller twists of up to -20 degrees for the A.T base-pairs, although there is probably only one (weak) three-centre hydrogen bond in the six base-pair AT narrow minor-groove region. An extensive ribbon of hydration has been located in this groove that has features distinctive from the classic "spine of hydration". Solvation around phosphate groups is described, with several instances of water molecules bridging between phosphates.

PMID:: 1518049; [PubMed - indexed for MEDLINE]

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Structures reported by this article

Molecular Structure Of The B-Dna Dodecamer D(Cgcaaatttgcg) 2; An Examination Of Propeller Twist And Minor-Groove Water Structure At 2.2 Angstroms Resolutionÿ

PDB: 1D65

Source: synthetic construct

Method: X-Ray Diffraction

Resolution: 2.2 Å

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