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Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations
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 SAN...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
eLife Sciences Publications, Ltd
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7426092/ https://www.ncbi.nlm.nih.gov/pubmed/32729831 http://dx.doi.org/10.7554/eLife.56518 |
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author | Bengtsen, Tone Holm, Viktor L Kjølbye, Lisbeth Ravnkilde Midtgaard, Søren R Johansen, Nicolai Tidemand Tesei, Giulio Bottaro, Sandro Schiøtt, Birgit Arleth, Lise Lindorff-Larsen, Kresten |
author_facet | Bengtsen, Tone Holm, Viktor L Kjølbye, Lisbeth Ravnkilde Midtgaard, Søren R Johansen, Nicolai Tidemand Tesei, Giulio Bottaro, Sandro Schiøtt, Birgit Arleth, Lise Lindorff-Larsen, Kresten |
author_sort | Bengtsen, Tone |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-7426092 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | eLife Sciences Publications, Ltd |
record_format | MEDLINE/PubMed |
spelling | pubmed-74260922020-08-17 Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations Bengtsen, Tone Holm, Viktor L Kjølbye, Lisbeth Ravnkilde Midtgaard, Søren R Johansen, Nicolai Tidemand Tesei, Giulio Bottaro, Sandro Schiøtt, Birgit Arleth, Lise Lindorff-Larsen, Kresten eLife Structural Biology and Molecular Biophysics 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. eLife Sciences Publications, Ltd 2020-07-30 /pmc/articles/PMC7426092/ /pubmed/32729831 http://dx.doi.org/10.7554/eLife.56518 Text en © 2020, Bengtsen et al http://creativecommons.org/licenses/by/4.0/ http://creativecommons.org/licenses/by/4.0/This article is distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use and redistribution provided that the original author and source are credited. |
spellingShingle | Structural Biology and Molecular Biophysics Bengtsen, Tone Holm, Viktor L Kjølbye, Lisbeth Ravnkilde Midtgaard, Søren R Johansen, Nicolai Tidemand Tesei, Giulio Bottaro, Sandro Schiøtt, Birgit Arleth, Lise Lindorff-Larsen, Kresten Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations |
title | Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations |
title_full | Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations |
title_fullStr | Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations |
title_full_unstemmed | Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations |
title_short | Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations |
title_sort | structure and dynamics of a nanodisc by integrating nmr, saxs and sans experiments with molecular dynamics simulations |
topic | Structural Biology and Molecular Biophysics |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7426092/ https://www.ncbi.nlm.nih.gov/pubmed/32729831 http://dx.doi.org/10.7554/eLife.56518 |
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