Temperature-enhanced association of proteins due to electrostatic interaction: a coarse-grained simulation of actin-myosin binding

Journal of the American Chemical Society
Kei-ichi OkazakiMitsunori Takano

Abstract

Association of protein molecules constitutes the basis for the interaction network in a cell. Despite its fundamental importance, the thermodynamic aspect of protein-protein binding, particularly the issues relating to the entropy change upon binding, remains elusive. The binding of actin and myosin, which are vital proteins in motility, is a typical example, in which two different binding mechanisms have been argued: the binding affinity increases with increasing temperature and with decreasing salt-concentration, indicating the entropy-driven binding and the enthalpy-driven binding, respectively. How can these thermodynamically different binding mechanisms coexist? To address this question, which is of general importance in understanding protein-protein bindings, we conducted an in silico titration of the actin-myosin system by molecular dynamics simulation using a residue-level coarse-grained model, with particular focus on the role of the electrostatic interaction. We found a good agreement between in silico and in vitro experiments on the salt-concentration dependence and the temperature dependence of the binding affinity. We then figured out how the two binding mechanisms can coexist: the enthalpy (due to electrostatic in...Continue Reading

References

Apr 30, 1977·Archives of Biochemistry and Biophysics·S Highsmith
Aug 28, 1975·Nature·C Chothia, J Janin
Oct 1, 1989·Protein Engineering·A V Finkelstein, J Janin
Nov 15, 1988·The Biochemical Journal·M A Geeves, T E Jeffries
Dec 7, 1971·Biochemistry·R W Lymn, E W Taylor
Jan 9, 1996·Proceedings of the National Academy of Sciences of the United States of America·R A Milligan
Jul 1, 1996·Journal of Biochemistry·T Katoh, F Morita
Aug 5, 1997·Proceedings of the National Academy of Sciences of the United States of America·R Mendelson, E P Morris
May 11, 1999·Protein Engineering·M Karplus, J Janin
Jun 29, 2000·Annual Review of Biochemistry·M A Geeves, K C Holmes
Aug 15, 2000·Annual Review of Biophysics and Biomolecular Structure·M A Martí-RenomA Sali
Apr 25, 2002·Annual Review of Physical Chemistry·Lawrence R Pratt
Jan 1, 1959·Advances in Protein Chemistry·W KAUZMANN
Apr 23, 2004·Current Opinion in Structural Biology·José Nelson Onuchic, Peter G Wolynes
Dec 17, 2004·Physical Review Letters·Florin DespaR Stephen Berry
Aug 1, 2006·Proceedings of the National Academy of Sciences of the United States of America·Kei-ichi OkazakiPeter G Wolynes
Oct 26, 2007·Proceedings of the National Academy of Sciences of the United States of America·Changbong Hyeon, José N Onuchic
Dec 18, 2007·Journal of Molecular Biology·Young C Kim, Gerhard Hummer
Dec 22, 2007·Chemical Reviews·Philip Ball
Aug 6, 2008·Proceedings of the National Academy of Sciences of the United States of America·Kei-Ichi Okazaki, Shoji Takada
Aug 30, 2008·Proceedings of the National Academy of Sciences of the United States of America·Jennifer C KleinDavid D Thomas
Aug 30, 2008·Proceedings of the National Academy of Sciences of the United States of America·Young C KimGerhard Hummer
Oct 22, 2008·Biophysical Journal·John F BeausangYale E Goldman
Jan 23, 2009·Nature·Toshiro OdaAkihiro Narita
Mar 11, 2009·Frontiers in Bioscience (Landmark Edition)·Masahiro Kinoshita
Apr 14, 2010·Proceedings of the National Academy of Sciences of the United States of America·Mitsunori TakanoMasaki Sasai
Jul 10, 2010·Proceedings of the National Academy of Sciences of the United States of America·Michael Lorenz, Kenneth C Holmes
Sep 15, 2010·FASEB Journal : Official Publication of the Federation of American Societies for Experimental Biology·Balázs TakácsMihály Kovács
Oct 12, 2010·Nature·Noriyuki KoderaToshio Ando
Jan 21, 2012·Biophysical Journal·Changbong Hyeon, José N Onuchic

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Citations

Apr 26, 2014·PLoS Computational Biology·Qing-Miao NieTomoki P Terada
Feb 12, 2014·Physical Chemistry Chemical Physics : PCCP·Qing-Miao NieTomoki P Terada
Nov 1, 2013·Current Opinion in Structural Biology·Marc Baaden, Siewert J Marrink
Apr 16, 2015·AIP Advances·Yan Lu, Freddie R Salsbury
Apr 29, 2016·Proteins·Koji UmezawaMitsunori Takano
Jun 9, 2016·Biophysical Journal·Hiraku OshimaMasahiro Kinoshita
Aug 20, 2016·Journal of Chemical Theory and Computation·Peter McCullaghMartin McCullagh
Sep 9, 2016·Journal of the American Chemical Society·Ye TianPeter J Stang
May 6, 2017·Angewandte Chemie·Ning ZhangLishan Yao
Dec 10, 2017·The Journal of Chemical Physics·Takato SatoMitsunori Takano
May 24, 2017·Physical Biology·Marcus Thomas, Russell Schwartz
Apr 4, 2019·PLoS Neglected Tropical Diseases·Razvan C StanMaristela M de Camargo
Apr 6, 2019·Protein and Peptide Letters·Cadena-Cadena FranciscoRivero-Espejel Ignacio Alfredo
Aug 31, 2016·Physical Review. E·Jun OhnukiMitsunori Takano
Dec 1, 2018·Physical Review Letters·Takato SatoMitsunori Takano
Aug 21, 2020·The Journal of Biological Chemistry·Wei HeShu Quan
Feb 10, 2021·International Journal of Molecular Sciences·Yukinobu Mizuhara, Mitsunori Takano
Mar 12, 2021·Frontiers in Molecular Biosciences·Md Iqbal MahmoodKei-Ichi Okazaki
Feb 11, 2014·Journal of Chemical Theory and Computation·Tsuyoshi Terakawa, Shoji Takada
Dec 30, 2016·The Journal of Physical Chemistry. B·Takato SatoMitsunori Takano

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