X‑ray Crystal Structure of rac-[Ru(phen)2dppz]2+ with d(ATGCAT)2 Shows Enantiomer Orientations and Water Ordering

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...

Full description

Saved in:

Bibliographic Details
Published in:	Journal of the American Chemical Society Vol. 135; no. 34; pp. 12652 - 12659
Main Authors:	Hall, James P, Cook, Daniel, Morte, Sara Ruiz, McIntyre, Patrick, Buchner, Katrin, Beer, Hanna, Cardin, David J, Brazier, John A, Winter, Graeme, Kelly, John M, Cardin, Christine J
Format:	Journal Article
Language:	English
Published:	United States American Chemical Society 28-08-2013
Subjects:	Coordination Complexes - chemistry Crystallography, X-Ray Models, Molecular Molecular Structure Oligodeoxyribonucleotides - chemistry Ruthenium - chemistry Water - chemistry
Online Access:	Get full text
Tags:	Add Tag No Tags, Be the first to tag this record!

Description
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.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	0002-7863 1520-5126
DOI:	10.1021/ja403590e