A role for confined water in chaperonin function.

Journal of the American Chemical Society
Jeremy EnglandVijay S Pande

Abstract

Chaperonins engulf other proteins and accelerate their folding by an unknown mechanism. Here, we combine all-atom molecular dynamics simulations with data from experimental assays of the activity of the bacterial chaperonin GroEL to demonstrate that a chaperonin's ability to facilitate folding is correlated with the affinity of its interior surface for water. Our results suggest a novel view of the behavior of confined water for models of in vivo protein folding scenarios.

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Citations

Aug 23, 2011·Journal of the American Chemical Society·Anna BerteottiMichele Parrinello
Aug 14, 2012·Journal of the American Chemical Society·Frank BiedermannAlfonso De Simone
Jun 6, 2009·Nature Structural & Molecular Biology·F Ulrich Hartl, Manajit Hayer-Hartl
Dec 3, 2010·Cold Spring Harbor Perspectives in Biology·R Martin VabulasF Ulrich Hartl
May 11, 2010·Biochemistry and Cell Biology = Biochimie Et Biologie Cellulaire·Jeremy L England, Vijay S Pande
Oct 27, 2010·PLoS Computational Biology·Del LucentVijay S Pande
Nov 19, 2013·PLoS Computational Biology·Murat Cetinbaş, Eugene I Shakhnovich
May 24, 2014·PLoS Computational Biology·Drazen Petrov, Bojan Zagrovic
Mar 13, 2014·The Journal of Physical Chemistry. B·J Srinivasa RaoLuis Cruz
Mar 8, 2013·The Journal of Chemical Physics·Jeffrey K Weber, Vijay S Pande
May 3, 2013·The Journal of Chemical Physics·Jeffrey K Weber, Vijay S Pande
Oct 24, 2009·Cellular and Molecular Life Sciences : CMLS·Andrew I Jewett, Joan-Emma Shea
May 13, 2014·Journal of Molecular Biology·Amit J GuptaManajit Hayer-Hartl
Jan 22, 2015·Biophysical Journal·Murat Çetinbaş, Eugene I Shakhnovich
Jan 5, 2016·Chemical Reviews·Ranit Gruber, Amnon Horovitz
Oct 1, 2015·Trends in Biochemical Sciences·Manajit Hayer-HartlF Ulrich Hartl
Jul 6, 2010·Journal of Molecular Biology·So Yeon KimW E Moerner
Jul 7, 2017·The Journal of Physical Chemistry. B·Chayan DuttaAlexander V Benderskii
Jun 21, 2017·Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences·Kherim WillemsGiovanni Maglia
Aug 8, 2014·Journal of Peptide Science : an Official Publication of the European Peptide Society·Tamás Vajda, András Perczel
Mar 3, 2009·The Journal of Physical Chemistry. B·Sandeep ShrivastavaAmitabha Chattopadhyay
Oct 22, 2009·The Journal of Physical Chemistry. B·Piotr A PieniazekJ L Skinner
Jun 16, 2021·The Journal of Physical Chemistry Letters·Nicolas MacroDongping Zhong
Aug 13, 2013·Journal of Chemical Theory and Computation·Toshihiro KanekoXiao Cheng Zeng
Jun 4, 2014·Journal of the American Chemical Society·John M FranckAmnon Horovitz
Oct 3, 2018·The Journal of Physical Chemistry. B·Stefano Piana, David E Shaw

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Methods Mentioned

BETA
protein folding

Software Mentioned

GROMACS

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