Abstract
The DNA tetramer d(ICpCpGpG) or ICCGG crystallizes as a double-stranded 4-base pair (bp) segment of an A helix. Two such tetramer helices are packed together in the crystal with local helix axes nearly coincident, simulating an 8-bp helix, and four such octamers make up the tetragonal unit cell. Restrained energy and reciprocal space refinement has led to an R factor of 20.5% at 2.1 Å resolution. The ICCGG helix has a twist corresponding to 10.7 bp per turn, a 19° base tilt and a 2.3 Å rise per base pair along the helix axis. The mean propeller twist of 18° is comparable with, and has the same rotational sense as that observed in the B-DNA dodecamer CGCGAATTCGCG at similarly high alcohol concentration. Backbone phosphate groups in A-DNA are extensively hydrated, including a network across the opening of the major groove, whereas base edge N and O groups in major and minor grooves are less hydrated than in B-DNA. The minor groove spine of hydration observed in B-DNA is totally absent. These observations of relative hydration confirm and extend the model for the B-to-A helix transition proposed earlier on the basis of the B helix structure.
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Conner, B., Takano, T., Tanaka, S. et al. The molecular structure of d(ICpCpGpG), a fragment of right-handed double helical A-DNA. Nature 295, 294–299 (1982). https://doi.org/10.1038/295294a0
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DOI: https://doi.org/10.1038/295294a0
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