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  Predictive atomic resolution descriptions of intrinsically disordered hTau40 and alpha-synuclein in solution from NMR and small angle scattering.

Schwalbe, M., Ozenne, V., Bibow, S., Jaremko, M., Jaremko, L., Gajda, M. J., et al. (2014). Predictive atomic resolution descriptions of intrinsically disordered hTau40 and alpha-synuclein in solution from NMR and small angle scattering. Structure, 22(2), 238-249. doi:10.1016/j.str.2013.10.020.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0017-C1B6-E Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-1F3F-B
Genre: Journal Article

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 Creators:
Schwalbe, M.1, Author              
Ozenne, V., Author
Bibow, S.1, Author              
Jaremko, M.2, Author              
Jaremko, L.2, Author              
Gajda, M. J.1, Author              
Jensen, M. R., Author
Biernat, J., Author
Becker, S.2, Author              
Mandelkow, E., Author
Zweckstetter, M.1, Author              
Blackledge, M., Author
Affiliations:
1Research Group of Protein Structure Determination using NMR, MPI for biophysical chemistry, Max Planck Society, ou_578571              
2Department of NMR Based Structural Biology, MPI for Biophysical Chemistry, Max Planck Society, ou_578567              

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 Abstract: The development of molecular descriptions of intrinsically disordered proteins (IDPs) is essential for elucidating conformational transitions that characterize common neurodegenerative disorders. We use nuclear magnetic resonance, small angle scattering, and molecular ensemble approaches to characterize the IDPs Tau and alpha-synuclein. Ensemble descriptions of IDPs are highly underdetermined due to the inherently large number of degrees of conformational freedom compared with available experimental measurements. Using extensive cross-validation we show that five different types of independent experimental parameters are predicted more accurately by selected ensembles than by statistical coil descriptions. The improvement increases in regions whose local sampling deviates from statistical coil, validating the derived conformational description. Using these approaches we identify enhanced polyproline II sampling in aggregation-nucleation sites, supporting suggestions that this region of conformational space is important for aggregation.

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Language(s): eng - English
 Dates: 2014-02-04
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1016/j.str.2013.10.020
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Title: Structure
Source Genre: Journal
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Pages: - Volume / Issue: 22 (2) Sequence Number: - Start / End Page: 238 - 249 Identifier: -