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1、MCPPapersinPress.PublishedonJuly6,2013asManuscriptO113.030239#AnintroductiontobiologicalNMRspectroscopy*DominiqueMarionInstitutdeBiologieStructuraleJean-PierreEbelUMR5075CNRS-CEA-UJF41,rueJulesHorowitz,38027GrenobleCedex1!!(Revisedversion)Runningtitle:anintroductiontobiologicalNMRspectroscopyAbbre
2、viations1D,2D,3DNMR:one-,two-,three-dimensionalNMR,CSA:chemicalshiftanisotropy,FT:Fouriertransform,HSQC:heteronuclearsinglequantumcorrelationspectroscopy,IDP:intrinsicallydisorderedprotein,ITC:isothermaltitrationcalorimetry,nOe:nuclearOverhausereffect,NOESY:nuclearOverhausereffectcorrelationspectr
3、oscopy,PRE:paramagneticrelaxationenhancement,RDC:residualdipolarcoupling,r.f.:radio-frequency.!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!#!!ThisTutorialispartoftheInternationalProteomicsTutorialProgramme(IPTP16MCP).!*e-mail:Dominique.Marion@ibs.frAnintroductiontobiologicalNMRspectrosc
4、opy/page1!Copyright2013byTheAmericanSocietyforBiochemistryandMolecularBiology,Inc.SummaryNMRspectroscopyisapowerfultoolforbiologistsinterestedinthestructure,dynamicsandinteractionsofbiologicalmacromolecules.Thisreviewaimsatpresentinginanaccessiblemannertherequirementsandlimitationsofthistechnique.
5、Asanintroduction,thehistoryofNMRwillhighlighthowthemethodevolvedfromphysicstochemistryandfinallytobiologyoverseveraldecades.WethenintroducetheNMRspectralparametersusedinstructuralbiology,namelythechemicalshift,theJ-coupling,nuclearOverhausereffectsandresidualdipolarcouplings.Resonanceassignment,th
6、erequiredstepforanyfurtherNMRstudy,bearsaresemblancetojigsawpuzzlestrategy.TheNMRspectralparametersarethenconvertedintoangleanddistancesandusedasinputusingrestrainedmoleculardynamicstocomputeabundleofstructures.WheninterpretingaNMR-derivedstructure,thebiologisthastojudgeitsqualityonthebasisofthest
7、atisticsprovided.Whenthe3Dstructureisaprioriknownbyothermeans,themolecularinteractionwithapartnercanbemappedbyNMR:informationonthebindinginterfaceaswellasonkineticandthermodynamicconstantscanbegathered.NMRissuita
