X‑ray crystal structure of rac-[Ru(phen)2dppz]2+ with d(ATGCAT)2 shows enantiomer orientations and water ordering

Hall, J. P., Cook, D., Morte, S. R., McIntyre, P., Buchner, K., Beer, H., Cardin, D., Brazier, J. ORCID: https://orcid.org/0000-0002-4952-584X, Winter, G., Kelly, J. M. and Cardin, C. ORCID: https://orcid.org/0000-0002-2556-9995 (2013) X‑ray crystal structure of rac-[Ru(phen)2dppz]2+ with d(ATGCAT)2 shows enantiomer orientations and water ordering. Journal of the American Chemical Society, 135 (34). pp. 12652-12659. ISSN 0002-7863 doi: 10.1021/ja403590e

Abstract/Summary

We report an atomic resolution X-ray crystal structure containing both enantiomers of rac-[Ru(phen)2dppz]2+ with the d-(ATGCAT)2 DNA duplex (phen = phenanthroline; dppz = dipyridophenazine). The first example of any enantiomeric pair crystallized with a DNA duplex shows different orientations of the Λ and Δ binding sites, separated by a clearly defined structured water monolayer. Job plots show that the same species is present in solution. Each enantiomer is bound at a TG/CA step and shows intercalation from the minor groove. One water molecule is directly located on one phenazine N atom in the Δ-enantiomer only.

Item Type	Article
URI	https://reading-clone.eprints-hosting.org/id/eprint/34127
Item Type	Article
Refereed	Yes
Divisions	Interdisciplinary centres and themes > Chemical Analysis Facility (CAF) Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
Publisher	American Chemical Society
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