Solution Structure of a Phytocystatin from Ananas comosus and Its Molecular Interaction with Papain 英文参考文献.docVIP

Solution Structure of a Phytocystatin from Ananas comosus and Its Molecular Interaction with Papain 英文参考文献.doc

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Solution Structure of a Phytocystatin from Ananas comosus and Its Molecular Interaction with Papain 英文参考文献

SolutionStructureofaPhytocystatinfromAnanas comosusandItsMolecularInteractionwithPapain DeliIrene1,Tse-YuChung2,Bo-JiunChen1,Ting-HangLiu2,Feng-YinLi3,JasonT.C.Tzen2 ,Cheng- IWang4,Chia-LinChyan1* 1DepartmentofChemistry,NationalDongHwaUniversity,Hualien,Taiwan,RepublicofChina,2GraduateInstituteofBiotechnology,NationalChungHsingUniversity, Taichung, Taiwan, Republic of China, 3Department of Chemistry, National Chung Hsing University, Taichung, Taiwan, Republic of China, 4Singapore Immunology Network,BiomedicalSciencesInstitutes,AgencyforScience,TechnologyandResearch(A*STAR),Singapore Abstract Thestructureofarecombinantpineapplecystatin(AcCYS)wasdeterminedbyNMRwiththeRMSDofbackboneandheavy atomsoftwentylowestenergystructuresof0.56and1.11A,? respectively.ItrevealsanunstructuredN-terminalextension and acompact inhibitory domain comprising afour-stranded antiparallel b-sheet wrapped around acentral a-helix. The threestructuralmotifs(G45,Q89XVXG,andW120)putativelyresponsiblefortheinteractionwithpapain-likeproteasesare located in one side of AcCYS. Significant chemical shift perturbations in two loop regions, residues 45 to 48 (GIYD) and residues89to91(QVV),ofAcCYSstronglysuggesttheirinvolvementinthebindingtopapain,consistentwithstudieson othermembersofthecystatinfamily.However,thehighlyconservedW120appearsnottobeinvolvedinthebindingwith papainasnochemicalshiftperturbationwasobserved.Chemicalshiftindexanalysisfurtherindicatesthatthelengthofthe a-helix is shortened upon association with papain. Collectively, our data suggest that AcCYS undergoes local secondary structural rearrangements when papain is brought into close contact. A molecular model of AcCYS/papain complex is proposedtoillustratetheinteractionbetweenAcCYSandpapain,indicatingacompleteblockadeofthecatalytictriadby AcCYS. Citation:IreneD,ChungT-Y,ChenB-J,LiuT-H,LiF-Y,etal.(2012)SolutionStructureofaPhytocystatinfromAnanascomosusandItsMolecularInteractionwith Papain.PLoSONE7(11):e47865.doi:10.1371/journal.po

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