1D65

MOLECULAR STRUCTURE OF THE B-DNA DODECAMER D(CGCAAATTTGCG)2; AN EXAMINATION OF PROPELLER TWIST AND MINOR-GROOVE WATER STRUCTURE AT 2.2 ANGSTROMS RESOLUTION

Summary for 1D65

• Entry DOI: 10.2210/pdb1d65/pdb
• Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3') (2 entities in total)
• Functional Keywords: b-dna, double helix, dna
• Total number of polymer chains: 2
• Total formula weight: 7324.81

Authors

Edwards, K.J.,Brown, D.G.,Spink, N.,Neidle, S. (deposition date: 1992-03-02, release date: 1993-01-15, Last modification date: 2024-02-07)

Primary citation

Edwards, K.J.,Brown, D.G.,Spink, N.,Skelly, J.V.,Neidle, S.
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.
J.Mol.Biol., 226:1161-1173, 1992

PubMed 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.

PubMed: 1518049
DOI: 10.1016/0022-2836(92)91059-X

Experimental method

X-RAY DIFFRACTION (2.2 Å)