Assembly and Disassembly of Viral Capsids英文文献资料.docVIP

JournalofTheoreticalMedicine,Vol.6,No.2,June2005,69–72 Assemblyanddisassemblyofviralcapsids ROYAZANDI?*,DAVIDREGUERA?,ROBIJNBRUINSMA?,WILLIAMGELBART?andJOSEPHRUDNICK?{ ?DepartmentofChemistry,UniversityofCalifornia,LosAngeles,LA90095,USA ?DepartmentofPhysics,UniversityofCalifornia,LosAngeles,LA90095,USA Weaddresshereatheoreticalbasisfortheicosahedralsymmetrythatisobservedsocommonlyforviral capsids,i.e.,thesingle-protein-thickrigidshellsthatprotecttheviralgenome.Inparticular,weoutline thephenomenologicalhamiltonianapproachdevelopedrecently(seeZandi,R.,Reguera,D.,Bruinsma, R.,Gelbart, W.M.andRudnick, J.(2004),Original oficosahedral symmetryinviruses, Proc.Natl. Acad.Sci.,101,15556–15560)toaccountfortheoverwhelmingprevalenceoftheCaspar-Klug“T- number” structures that are found for “spherical” viruses. We feature the role of “conformational switchingenergies”de?ningthecompetingmultimericstatesoftheproteinsubunits.Theresultsof MonteCarlosimulationofthismodelarearguedtoshedlightaswellonthemechanicalpropertiesand genomereleasemechanismfortheseviruses. Keywords: Viralself-assembly;Icosahedralsymmetry;Structuraltransitions;T-number 1. Introduction believed to describe the generic structure of protein shells.§However,withcurrentcomputationalcapabilities itisneitherpossibletoverifythisclaimthroughall-atom molecular dynamics simulations nor can we design arti?cialproteinshellsbyall-atomsimulations. The cowpea rotic mottle virus (CCMV) is a classical T?3RNAviruswithashellcomposedof180identical subunits,[2]seealsoA.Zlotnick,thisvolume.Figure1(a) iscryo-TEMimageshowing5-and6-foldmorphological unitswhile?gure1(b)showstheassociatedarrangement of the subunits. The capsid has 12 ?ve-fold symmetry sites, 20 three-fold symmetry sites and 30 two-fold symmetrysites.Thesubunitsoccupythreedifferenttypes ofsubunitlocations,denotedbyA,BandC,thatdonot transformintoeachotherunderthesymmetryoperations. The subunits can be divided into 12 capsomers that contain 5 subunits (“pentamers”) and