Reference : Structure of triplex DNA in the gas phase.
Scientific journals : Article
Life sciences : Biochemistry, biophysics & molecular biology
Physical, chemical, mathematical & earth Sciences : Chemistry
http://hdl.handle.net/2268/132923
Structure of triplex DNA in the gas phase.
English
Arcella, Annalisa [> >]
Portella, Guillem [> >]
Ruiz, Maria Luz [> >]
Eritja, Ramon [> >]
Vilaseca, Marta [> >]
Gabelica, Valérie mailto [Université de Liège - ULg > Département de chimie (sciences) > GIGA-R : Laboratoire de spectrométrie de masse (L.S.M.) >]
Orozco, Modesto [> >]
2012
Journal of the American Chemical Society
134
15
6596-606
Yes
International
0002-7863
1520-5126
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
http://hdl.handle.net/2268/132923
10.1021/ja209786t
(c) 2012 American Chemical Society

File(s) associated to this reference

Fulltext file(s):

FileCommentaryVersionSizeAccess
Restricted access
2012-JACS-134-6596_Triplex.pdfPublisher postprint4.83 MBRequest copy

Additional material(s):

File Commentary Size Access
Open access
2012-JACS-134-6596_Triplex_SI.pdfSupporting Information3.61 MBView/Open

Bookmark and Share SFX Query

All documents in ORBi are protected by a user license.