Magnitude and molecular origin of water slowdown next to a protein

Journal of the American Chemical Society
Fabio SterponeDamien Laage

Abstract

Hydration shell dynamics plays a critical role in protein folding and biochemical activity and has thus been actively studied through a broad range of techniques. While all observations concur with a slowdown of water dynamics relative to the bulk, the magnitude and molecular origin of this retardation remain unclear. Via numerical simulations and theoretical modeling, we establish a molecular description of protein hydration dynamics and identify the key protein features that govern it. Through detailed microscopic mapping of the water reorientation and hydrogen-bond (HB) dynamics around lysozyme, we first determine that 80% of the hydration layer waters experience a moderate slowdown factor of ~2-3, while the slower residual population is distributed along a power-law tail, in quantitative agreement with recent NMR results. We then establish that the water reorientation mechanism at the protein interface is dominated by large angular jumps similar to the bulk situation. A theoretical extended jump model is shown to provide the first rigorous determination of the two key contributions to the observed slowdown: a topological excluded-volume factor resulting from the local protein geometry, which governs the dynamics of the fast...Continue Reading

References

Jan 1, 1996·Annual Review of Biophysics and Biomolecular Structure·R G Bryant
Dec 7, 2000·Biophysical Journal·V A MakarovB M Pettitt
Feb 24, 2001·Nature·A M Klibanov
Apr 17, 2002·Physical Review Letters·M Tarek, D J Tobias
Jun 6, 2002·Journal of the American Chemical Society·Massimo MarchiMatteo Ceccarelli
Aug 23, 2002·Protein Science : a Publication of the Protein Society·Richard H Henchman, J Andrew McCammon
Mar 3, 2004·Biophysical Journal·Daniela RussoTeresa Head-Gordon
Aug 13, 2004·Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences·Bertil Halle
Sep 28, 2004·Proceedings of the National Academy of Sciences of the United States of America·P W FenimoreR D Young
Sep 16, 2005·Proceedings of the National Academy of Sciences of the United States of America·Lennart Nilsson, Bertil Halle
Jan 28, 2006·Science·Damien Laage, James T Hynes
Apr 6, 2006·Proceedings of the National Academy of Sciences of the United States of America·Ross K EpplerDouglas S Clark
May 13, 2006·Annual Review of Biophysics and Biomolecular Structure·Yaakov Levy, José N Onuchic
Sep 14, 2006·Proceedings of the National Academy of Sciences of the United States of America·Weihong QiuAhmed H Zewail
Feb 24, 2007·Journal of the American Chemical Society·Neil T HuntKlaas Wynne
Feb 27, 2007·Journal of the American Chemical Society·Tanping LiSherwin J Singer
Jun 15, 2007·The Journal of Physical Chemistry. B·Francesco PizzituttiPeter J Rossky
Jun 22, 2007·Proceedings of the National Academy of Sciences of the United States of America·Damien Laage, James T Hynes
Nov 8, 2007·Proceedings of the National Academy of Sciences of the United States of America·K WoodM Weik
Feb 6, 2009·The Journal of Physical Chemistry. B·Damien LaageJames T Hynes
Jan 21, 2010·The Journal of Physical Chemistry. B·Fabio SterponeDamien Laage
Jun 1, 2010·The Journal of Physical Chemistry. B·Stefania PerticaroliAssunta Morresi
Jan 5, 2011·Nature Structural & Molecular Biology·Nathaniel V NucciA Joshua Wand
Jan 12, 2011·Annual Review of Physical Chemistry·Damien LaageJames T Hynes
Mar 25, 2011·The Journal of Chemical Physics·Sudipta Kumar Sinha, Sanjoy Bandyopadhyay
Jun 21, 2011·The Journal of Chemical Physics·Jianhui Tian, Angel E García
Jul 19, 2011·Journal of the American Chemical Society·Nathaniel V NucciA Joshua Wand
Sep 20, 2011·Nature Structural & Molecular Biology·Moran GrossmanMartina Havenith
Oct 13, 2011·The Journal of Physical Chemistry. a·Kamila MazurStephen R Meech

❮ Previous
Next ❯

Citations

Oct 30, 2012·Journal of the American Chemical Society·John T King, Kevin J Kubarych
Dec 18, 2013·Journal of the American Chemical Society·John T KingKevin J Kubarych
Sep 6, 2012·The Journal of Physical Chemistry. B·Maria MontagnaLeonardo Guidoni
Feb 6, 2013·Physical Chemistry Chemical Physics : PCCP·O RahamanF Sterpone
Dec 14, 2012·Journal of the Royal Society, Interface·Panagiotis L Kastritis, Alexandre M J J Bonvin
May 17, 2014·The Journal of Chemical Physics·S CorezziD Fioretto
Dec 17, 2014·The Journal of Chemical Physics·Sudipta Kumar SinhaSanjoy Bandyopadhyay
Dec 17, 2014·The Journal of Chemical Physics·Elise Duboué-Dijon, Damien Laage
Apr 29, 2015·Proceedings of the National Academy of Sciences of the United States of America·Yann FichouMartin Weik
Nov 17, 2014·The Journal of Chemical Physics·Aoife C FogartyWard H Thompson
Sep 10, 2015·The Journal of Physical Chemistry. B·Yann FichouDouglas J Tobias
Aug 11, 2015·Journal of the American Chemical Society·John M FranckSongi Han
Jul 2, 2015·The Journal of Physical Chemistry. B·Suman DasBiswaroop Mukherjee
Jul 17, 2015·Langmuir : the ACS Journal of Surfaces and Colloids·Xiaosong DuDavid A Hoagland
May 24, 2015·The Journal of Chemical Physics·Aoife C FogartyKurt Kremer
Apr 28, 2016·The Journal of Physical Chemistry Letters·Carien C M Groot, Huib J Bakker
May 18, 2016·Chemical Reviews·Marie-Claire Bellissent-FunelAngel E Garcia
May 4, 2016·The Journal of Physical Chemistry. B·Z F BrotzakisP G Bolhuis
Jun 1, 2016·Biochimica Et Biophysica Acta·Lada Biedermannová, Bohdan Schneider
May 31, 2016·Journal of the American Chemical Society·Elise Duboué-DijonDamien Laage
Aug 26, 2016·Biophysical Journal·Luciano A AbriataMatteo Dal Peraro
Oct 27, 2016·Journal of the American Chemical Society·Stefania PerticaroliJonathan D Nickels
Oct 30, 2016·The Journal of Physical Chemistry. B·Saikat BiswasPramit Kumar Chowdhury
Mar 2, 2017·Chemical Reviews·Damien LaageJames T Hynes
Mar 2, 2017·Journal of the American Chemical Society·Jin YangDongping Zhong
Jan 7, 2017·The Journal of Physical Chemistry. B·Adam HospitalModesto Orozco
May 8, 2016·Biochimica Et Biophysica Acta. General Subjects·Sheila Khodadadi, Alexei P Sokolov
Feb 1, 2014·The Journal of Physical Chemistry. B·Aoife C Fogarty, Damien Laage
Dec 3, 2016·Physical Chemistry Chemical Physics : PCCP·Prithwish K NandiAntonio Benedetto
Mar 10, 2017·Physical Chemistry Chemical Physics : PCCP·Yulian GavrilovYaakov Levy
Jul 3, 2015·Physical Chemistry Chemical Physics : PCCP·Meng ChenHuiqun Zhou
Jun 2, 2015·Soft Matter·S Khodadadi, A P Sokolov
Feb 11, 2015·Physical Chemistry Chemical Physics : PCCP·Karina MorgensternMartin Muhler
Jan 9, 2014·Nature Communications·Sander PronkPeter M Kasson
May 22, 2018·Physical Chemistry Chemical Physics : PCCP·Jayangika N Dahanayake, Katie R Mitchell-Koch
May 12, 2018·Proceedings of the National Academy of Sciences of the United States of America·Guillaume StirnemannDamien Laage
Jan 23, 2014·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Aoife C FogartyDamien Laage
Jun 2, 2016·Nature Communications·Mario González-JiménezKlaas Wynne

❮ Previous
Next ❯

Related Concepts

Related Feeds

Bacterial Cell Wall Structure (ASM)

Bacterial cell walls are made of peptidoglycan (also called murein), which is made from polysaccharide chains cross-linked by unusual peptides containing D-amino acids. Here is the latest research on bacterial cell wall structures.

Bacterial Cell Wall Structure

Bacterial cell walls are made of peptidoglycan (also called murein), which is made from polysaccharide chains cross-linked by unusual peptides containing D-amino acids. Here is the latest research on bacterial cell wall structures.