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Protein Homology Modelling[蛋白质同源建模](PPT-48).ppt

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ProteinHomologyModellingThomasBlicherCenterforBiologicalSequenceAnalysisLearningObjectivesAfterthislessonyoushouldbeableto:?AbInitioproteinfolding(“random”sampling):100aa,3conf./residuegivesapproximately1048differentoverallconformations!RandomsamplingisNOTfeasible,evenifconformationscanbesampledatpicosecond(10-12sec)’?Thestructureofaproteinisuniquelydeterminedbyitsaminoacidsequence(butsequenceissometimesnotenough):prionspH,ions,cofactors,>Function>>SequenceHowOftenCanWeDoIt?Therearecurrently~47000structuresinthePDB(butonly~4000ifyouincludeonlyonesthatarenotmorethan30%Å).Anestimated25%ofallsequencescanbemodeledandstructuralinformationcanbeobtainedfor~50%.pletegenomesSignalingproteinsDisease-anismsMembraneproteinsProtein-ligandinteractions”Foldspacecoverage”StructuralGenomicsinNorthAmerica10year$600millionprojectinitiatedin2000,:structuralinformationon10000uniqueproteins(now4-6000),(frommonthstodays)andcost(from$$).9researchcenterscurrentlyfunded(2005),targetsarefrommodelanddisease-anisms(aseparateprojectonTBproteins).HomologyModelingforStructuralGenomicsRobertoSá, 986 - 990(2000)HowWellCanWeDoIt?Sali,A.&Kuriyan,,M20–M24(1999)

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