Confinement in Nanodiscs Anisotropically Modifies Lipid Bilayer Elastic Properties

The Journal of Physical Chemistry. B
Itay SchachterDaniel Harries

Abstract

Lipid nanodiscs are small synthetic lipid bilayer structures that are stabilized in solution by special circumscribing (or scaffolding) proteins or polymers. Because they create native-like environments for transmembrane proteins, lipid nanodiscs have become a powerful tool for structural determination of this class of systems when combined with cryo-electron microscopy or nuclear magnetic resonance. The elastic properties of lipid bilayers determine how the lipid environment responds to membrane protein perturbations, and how the lipid in turn modifies the conformational state of the embedded protein. However, despite the abundant use of nanodiscs in determining membrane protein structure, the elastic material properties of even pure lipid nanodiscs (i.e., without embedded proteins) have not yet been quantitatively investigated. A major hurdle is due to the inherently nonlocal treatment of the elastic properties of lipid systems implemented by most existing methods, both experimental and computational. In addition, these methods are best suited for very large "infinite" size lipidic assemblies, or ones that contain periodicity, in the case of simulations. We have previously described a computational analysis of molecular dynam...Continue Reading

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Citations

Nov 10, 2020·Protein Science : a Publication of the Protein Society·Stephen G Sligar, Ilia G Denisov
Dec 18, 2020·Frontiers in Molecular Biosciences·Alex Bunker, Tomasz Róg
May 29, 2021·Journal of Chemical Information and Modeling·Lisbeth R KjølbyeBirgit Schiøtt
Dec 22, 2020·ACS Nano·Vishal Maingi, Paul W K Rothemund
Nov 13, 2020·The Journal of Physical Chemistry. B·Siewert J Marrink, Ilya Levental

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Methods Mentioned

BETA
nuclear magnetic resonance

Software Mentioned

MDTraj
MDAnalysis
NAMD
CHARMM36
Lipidator Toolkit
ReSiS
Anton2
VMD
GUI
CHARMM

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