Molecular Mechanism of preQ(1) Riboswitch Action: A Molecular Dynamics Study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F12%3A33142847" target="_blank" >RIV/61989592:15310/12:33142847 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68081707:_____/12:00389524 RIV/00216224:14740/12:00063769

Výsledek na webu

<a href="http://dx.doi.org/10.1021/jp309230v" target="_blank" >http://dx.doi.org/10.1021/jp309230v</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jp309230v" target="_blank" >10.1021/jp309230v</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Molecular Mechanism of preQ(1) Riboswitch Action: A Molecular Dynamics Study

Popis výsledku v původním jazyce

Riboswitches often occur in the 5'-untranslated regions of bacterial mRNA where they regulate gene expression. The preQ(1) riboswitch controls the biosynthesis of a hyper-modified nucleoside queuosine in response to binding the queuosine metabolic intermediate. Structures of the ligand-bound and ligand-free states of the preQ(1) riboswitch from Thermoanaerobacter tengcongensis were determined recently by Xray crystallography. We used multiple, microsecond-long molecular dynamics simulations (29 mu s intotal) to characterize the structural dynamics of preQ(1) riboswitches in both states. We observed different stabilities of the stem in the bound and free states, resulting in different accessibilities of the ribosomebinding site. These differences are related to different stacking interactions between nucleotides of the stem and the associated loop, which itself adopts different conformations in the bound and free states. We suggest that the loop not only serves to bind preQ, but also t

Název v anglickém jazyce

Molecular Mechanism of preQ(1) Riboswitch Action: A Molecular Dynamics Study

Popis výsledku anglicky

Riboswitches often occur in the 5'-untranslated regions of bacterial mRNA where they regulate gene expression. The preQ(1) riboswitch controls the biosynthesis of a hyper-modified nucleoside queuosine in response to binding the queuosine metabolic intermediate. Structures of the ligand-bound and ligand-free states of the preQ(1) riboswitch from Thermoanaerobacter tengcongensis were determined recently by Xray crystallography. We used multiple, microsecond-long molecular dynamics simulations (29 mu s intotal) to characterize the structural dynamics of preQ(1) riboswitches in both states. We observed different stabilities of the stem in the bound and free states, resulting in different accessibilities of the ribosomebinding site. These differences are related to different stacking interactions between nucleotides of the stem and the associated loop, which itself adopts different conformations in the bound and free states. We suggest that the loop not only serves to bind preQ, but also t

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BO - Biofyzika

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physical Chemistry B

ISSN

1520-6106

e-ISSN

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Svazek periodika

116

Číslo periodika v rámci svazku

42

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

14

Strana od-do

12721-12734

Kód UT WoS článku

000310120900010

EID výsledku v databázi Scopus

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