Journal Article

PUBDB-2020-03346

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations

Bengtsen, T. ; Holm, V. L. ; Kjølbye, L. R. ; Midtgaard, S. R. ; Johansen, N. T. ; Tesei, G. ; Bottaro, S. ; Schiøtt, B. ; Arleth, L. (Corresponding author)Extern* ; Lindorff-Larsen, K. (Corresponding author)

2020
eLife Sciences Publications Cambridge

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Please use a persistent id in citations: doi:10.7554/eLife.56518  doi:10.3204/PUBDB-2020-03346

Abstract: Nanodiscs are membrane mimetics that consist of a protein belt surrounding a lipid bilayer, and are broadly used for characterization of membrane proteins. Here, we investigate the structure, dynamics and biophysical properties of two small nanodiscs, MSP1D1ΔH5 and ΔH4H5. We combine our SAXS and SANS experiments with molecular dynamics simulations and previously obtained NMR and EPR data to derive and validate a conformational ensemble that represents the structure and dynamics of the nanodisc. We find that it displays conformational heterogeneity with various elliptical shapes, and with substantial differences in lipid ordering in the centre and rim of the discs. Together, our results reconcile previous apparently conflicting observations about the shape of nanodiscs, and pave the way for future integrative studies of larger complex systems such as membrane proteins embedded in nanodiscs.

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Contributing Institute(s):

1. EMBL-User (EMBL-User)

Research Program(s):

1. 6G3 - PETRA III (POF3-622) (POF3-622)

Experiment(s):

1. PETRA Beamline P12 (PETRA III)

Appears in the scientific report 2020

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