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Nunn, Christine M., Trent, John O. and Neidle, Stephen (1997) A model for the [C+-G⋅C]n triple helix derived from observation of the C+-G⋅C base triplet in a crystal structure. FEBS Letters, 416 (1). pp. 86-89. ISSN 0014-5793
A molecular modelling study on the IC+ -G'C]n triple helix is reported. We have observed the C^-G'C base triplet in the crystal structure of an oligonucleotide-drug complex, between the minor-groove drug netropsin and the decanucleotide d(CGCAATTGCG)2. The complex was crystallised at pH 7.0, but the crystal structure, at a resolution of 2.4 A, shows that a terminal cytosine has become protonated and participates in a parallel C+ -G«C base triplet. The structure of this triplet and its associated sugar-phosphate backbones have been energy-refined and then used to generate a triple helix. This has characteristics of the B-type family of DNA structures for two strands, with the third, the C+ strand, having backbone conformations closer to the A family.
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