Protein Dynamics Governed by Interfaces of High Polarity and Low Packing Density 英文参考文献.docVIP
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Protein Dynamics Governed by Interfaces of High Polarity and Low Packing Density 英文参考文献
ProteinDynamicsGovernedbyInterfacesofHigh
PolarityandLowPackingDensity
VladimirEspinosaAngarica1,2,JavierSancho1,2
*
1DepartamentodeBioqu?′micayBiolog?′aMolecularyCelular,FacultaddeCiencias,UniversidaddeZaragoza,Zaragoza,Spain,2BiocomputationandComplexSystems
PhysicsInstitute(BIFI),JointUnitBIFI-IQFR,CSIC,UniversidaddeZaragoza,Zaragoza,Spain
Abstract
The folding pathway, three-dimensional structure and intrinsic dynamics of proteins are governed by their amino acid
sequences.Internalproteinsurfaceswithphysicochemicalpropertiesappropriatetomodulateconformationalfluctuations
couldplayimportantrolesinfoldinganddynamics.Weshowherethatproteinscontainburiedinterfacesofhighpolarity
andlow packing density, coined as LIPs: Light Interfacesof high Polarity, whose physicochemical properties make them
unstable. The structures of well-characterized equilibrium and kinetic folding intermediates indicate that the LIPs of the
correspondingnativeproteinsfoldlateandareinvolvedinlocalunfoldingevents.Importantly,LIPscanbeidentifiedusing
veryfastanduncomplicatedcomputationalanalysisofproteinthree-dimensionalstructures,whichprovidesaneasywayto
delineate the proteinsegments involved in dynamics. Since LIPs canbe retained while the sequences of the interacting
segments diverge significantly, proteins could in principle evolve new functional features reusing pre-existing encoded
dynamics.Large-scaleidentificationofLIPSmaycontributetounderstandingevolutionaryconstraintsofproteinsandthe
wayproteinintrinsicdynamicsareencoded.
Citation:AngaricaVE,SanchoJ(2012)ProteinDynamicsGovernedbyInterfacesofHighPolarityandLowPackingDensity.PLoSONE7(10):e48212.doi:10.1371/
journal.pone.0048212
Editor:AnnaTramontano,UniversityofRome,Italy
ReceivedAugust13,2012;AcceptedSeptember24,2012;PublishedOctober26,2012
Copyright:?2012Angarica,Sancho.Thisisanopen-accessarticledistributedunderthetermsoftheCreativeCommonsAttributionLicense,whichpermits
unrestricteduse,distribution,andreproductioninanymedium,providedtheo
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