Nucleic Acids Research, Vol 24, Issue 5 951-961, Copyright © 1996 by Oxford University Press
TJ Boggon, EL Hancox, KE McAuley-Hecht, BA Connolly, WN Hunter, T Brown, RT Walker and GA Leonard
The crystal structure refinement of the synthetic dodecamer
d(CGCGAASSCGCG), where S = 4'-thio-2'-deoxythymidine, has converged at
R=0.201 for 2605 reflections with F > 2sigma(F) in the resolution range
8.0-2.4 A for a model consisting of the dodecamer duplex and 66 water
molecules. A comparison of its structure with that of the native dodecamer
d(CGCGAATTCGCG) has revealed that the major differences between the two
structures is a change in the conformation of the sugar- phosphate backbone
in the regions at and adjacent to the positions of the modified
nucleosides. Examination of the fine structural parameters for each of the
structures reveals that the thiosugars adopt a C3'-exo conformation in
d(CGCGAASSCGCG), rather than the approximate C1'-exo conformation found for
the analogous sugars in the structure of d(CGCGAATTCGCG). The observed
differences in structure between the two duplexes may help to explain the
enhanced resistance to nuclease digestion of synthetic oligonucleotides
containing 4'-thio-2'- deoxynucleotides.
ARTICLES
The crystal structure analysis of d(CGCGAASSCGCG)2, a synthetic DNA dodecamer duplex containing four 4'-thio-2'-deoxythymidine nucleotides
Department of Chemistry, University of Manchester, UK.
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