Modulation of the helical properties of DNA: next-to-nearest neighbour effects and beyond

被引：22

作者：

Balaceanu, Alexandra ^{[1
]}

Buitrago, Diana ^{[1
]}

Walther, Juergen ^{[1
]}

Hospital, Adam ^{[1
]}

Dans, Pablo D. ^{[1
]}

Orozco, Modesto ^{[1
,2
]}

机构：

[1] BIST, Inst Res Biomed IRB Barcelona, Barcelona 08028, Spain

[2] Univ Barcelona, Dept Biochem & Biomed, E-08028 Barcelona, Spain

来源：

NUCLEIC ACIDS RESEARCH | 2019年 / 47卷 / 09期

基金：

欧洲研究理事会;

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; UNIQUE TETRANUCLEOTIDE SEQUENCES; B-DNA; NUCLEIC-ACIDS; FORCE-FIELD; BASE-PAIR; STEPS; AMBER; OLIGONUCLEOTIDES; DEFORMABILITY;

D O I：

10.1093/nar/gkz255

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

We used extensive molecular dynamics simulations to study the structural and dynamic properties of the central d(TpA) step in the highly polymorphic d(CpTpApG) tetranucleotide. Contrary to the assumption of the dinucleotide-model and its nearest neighbours (tetranucleotide-model), the properties of the central d(TpA) step change quite significantly dependent on the next-to-nearest (hexanucleotide) sequence context and in a few cases are modulated by even remote neighbours (beyond next-to-nearest from the central TpA). Our results highlight the existence of previously undescribed dynamical mechanisms for the transmission of structural information into the DNA and demonstrate the existence of certain sequences with special physical properties that can impact on the global DNA structure and dynamics.

引用

页码：4418 / 4430

页数：13

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