Role of Histone Tails in Structural Stability of the Nucleosome 英文参考文献.docVIP

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Role of Histone Tails in Structural Stability of the Nucleosome 英文参考文献.doc

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Role of Histone Tails in Structural Stability of the Nucleosome 英文参考文献

RoleofHistoneTailsinStructuralStabilityofthe Nucleosome MithunBiswas1,KarineVoltz2,JeremyC.Smith3,Jo¨rgLangowski4* 1Computational Molecular Biophysics, Interdisciplinary Center for Scientific Computing (IWR), University of Heidelberg, Heidelberg, Germany, 2Biophysics of Macromolecules,GermanCancerResearchCenter(DKFZ),Heidelberg,Germany,3UniversityofTennessee/OakRidgeNationalLaboratoryCenterforMolecularBiophysics, OakRidgeNationalLaboratory,OakRidge,Tennessee,UnitedStatesofAmerica,4BiophysicsofMacromolecules,GermanCancerResearchCenter(DKFZ),Heidelberg, Germany Abstract Histonetailsplayanimportantroleinnucleosomestructureanddynamics.Hereweinvestigatetheeffectoftruncationof histone tails H3, H4, H2A and H2B on nucleosome structure with 100ns all-atom molecular dynamics simulations. Tail domainsofH3andH2Bshowpropensityofa-helicsformationduringtheintactnucleosomesimulation.Ontruncationof H4orH2Btailsnostructuralchangeoccursinhistones.However,H3orH2Atailtruncationresultsinstructuralalterationsin thehistonecoredomain,andinboththecasesthestructuralchangeoccursintheH2Aa3domain.Wealsofindthatthe contacts between the histone H2A C terminal docking domain and surrounding residues are destabilized upon H3 tail truncation.Therelationbetweenthepresentobservationsandcorrespondingexperimentsisdiscussed. Citation: Biswas M, VoltzK, Smith JC, Langowski J (2011) Role ofHistone Tails in Structural Stability of the Nucleosome.PLoS Comput Biol 7(12): e1002279. doi:10.1371/journal.pcbi.1002279 Editor:MarcA.Marti-Renom,CentrodeInvestigacio′nPr?′ncipeFelipe(CIPF),Spain ReceivedMarch11,2011;AcceptedOctober4,2011;PublishedDecember15,2011 Copyright: ? 2011 Biswas et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricteduse,distribution,andreproductioninanymedium,providedtheoriginalauthorandsourcearecredited. Funding: We acknowledge the Deutsche Forschungsgemeinschaft (www.dfg.de) for financial support under Grant