Reference : Structure of triplex DNA in the gas phase.
Scientific journals : Article
Life sciences : Biochemistry, biophysics & molecular biology
Physical, chemical, mathematical & earth Sciences : Chemistry
Structure of triplex DNA in the gas phase.
Arcella, Annalisa [> >]
Portella, Guillem [> >]
Ruiz, Maria Luz [> >]
Eritja, Ramon [> >]
Vilaseca, Marta [> >]
Gabelica, Valérie mailto [Université de Liège - ULiège > Département de chimie (sciences) > GIGA-R : Laboratoire de spectrométrie de masse (L.S.M.) >]
Orozco, Modesto [> >]
Journal of the American Chemical Society
Yes (verified by ORBi)
United States
[en] DNA/chemistry ; Gases/chemistry ; Mass Spectrometry ; Molecular Dynamics Simulation ; Nucleic Acid Conformation
[en] Extensive (more than 90 microseconds) molecular dynamics simulations complemented with ion-mobility mass spectrometry experiments have been used to characterize the conformational ensemble of DNA triplexes in the gas phase. Our results suggest that the ensemble of DNA triplex structures in the gas phase is well-defined over the experimental time scale, with the three strands tightly bound, and for the most abundant charge states it samples conformations only slightly more compact than the solution structure. The degree of structural alteration is however very significant, mimicking that found in duplex and much larger than that suggested for G-quadruplexes. Our data strongly supports that the gas phase triplex maintains an excellent memory of the solution structure, well-preserved helicity, and a significant number of native contacts. Once again, a linear, flexible, and charged polymer as DNA surprises us for its ability to retain three-dimensional structure in the absence of solvent. Results argue against the generally assumed roles of the different physical interactions (solvent screening of phosphate repulsion, hydrophobic effect, and solvation of accessible polar groups) in modulating the stability of DNA structures.
Giga-Systems Biology and Chemical Biology
Fonds de la Recherche Scientifique (Communauté française de Belgique) - F.R.S.-FNRS
(c) 2012 American Chemical Society

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