摘要
Mechanosensitive（MS）ionchannelsplayanimportantroleinvariousphysiologicalprocesses.Althoughthedeterminationofthestructureofmechanosensitivechanneloflargeconductance（MscL）makesthesimulationstudypossible,ithasnotsofarbeenpossibletodirectlysimulatethegatingmechanismofMscLinatomicdetail.Inthisarticle,MscLhasbeenstudiedviamoleculardynamic（MD）simulationstogainadetaileddescriptionofthesensitivitytolateraltensionandthegatingpathway.MscLundergoesconformationalrearrangementinsustaininglateraltension,andtheopenstateisobtainedwhen2.0MPalateraltensionisdirectlyappliedonthepureprotein.Duringtheopeningprocess,Loopregionrespondstotensionfirst,andthemechanicalsensitivityisfollowedbyS1domain.Transmembrane（TM）bundleisthekeypositionforchannelopening,andthemotionofTM1helicesfinallyrealizesthesignificantexpansionoftheconstrictedgatingpore.C-terminusdomainpresentsexpansionlaterduringtheTMopening.Inourstudy,returnofthewholeproteintotheinitialclosedstateisachievedonlyintheearlyopeningstage.Duringtherelaxationfromtheopenstate,theTMhelicesarethemostmobiledomain,whichisdifferentfromtheopeningprocess.
出版日期
2013年02月12日（中国期刊网平台首次上网日期，不代表论文的发表时间）
