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

DOI: 10.1021/ja403590e
PMID: 23875832

Authors: James P. Hall (Diamond Light Source) , Daniel Cook (University of Reading) , Sara Ruiz-Morte (University of Reading) , Patrick Mcintyre (University of Reading) , Katrin Buchner (University of Reading) , Hanna Beer (University of Reading) , David J. Cardin (University of Reading) , John A. Brazier (University of Reading) , Graeme Winter (Diamond Light Source) , John Kelly (Trinity College, Dublin) , Christine J. Cardin (University of Reading)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of The American Chemical Society , VOL 135 (34)

State: Published (Approved)
Published: July 2013

Abstract: 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.

Subject Areas: Biology and Bio-materials, Chemistry


Instruments: I02-Macromolecular Crystallography , I04-Macromolecular Crystallography

Added On: 29/07/2013 13:58

Discipline Tags:

Biochemistry Chemistry Structural biology Life Sciences & Biotech

Technical Tags:

Diffraction Macromolecular Crystallography (MX)