Topological and dynamical properties of Azurin anchored to a gold substrate as investigated by molecular dynamics simulation

Biophysical Chemistry
A R Bizzarri

Abstract

A classical molecular dynamics study of the electron transfer protein azurin, covalently bound to a gold substrate through its native disulphide group, is carried out at full hydration. With the aim of investigating the effects on the protein structure and dynamics as induced by the presence of an electric field, simulations are performed on neutral, positively and negatively charged substrates. A number of parameters, such as the average structure, the root mean square deviations and fluctuations, the intraprotein hydrogen bonds and solvent accessible surface of the protein, are monitored during 10 ns of run. The orientation, the height and the lateral size of the protein, with respect to the substrate are evaluated and compared with the experimental data obtained by scanning probe nanoscopies. The electron transfer properties between the copper redox center and the disulphide bridge bound to the substrate are investigated and briefly discussed.

References

Feb 27, 1992·Nature·C C MoserP L Dutton
Jan 1, 1988·Annual Review of Biophysics and Biophysical Chemistry·H FrauenfelderR D Young
Jun 1, 1995·Journal of Bioenergetics and Biomembranes·W B CurryJ N Onuchic
Feb 3, 1999·Proceedings of the National Academy of Sciences of the United States of America·O FarverI Pecht
Feb 17, 1999·Proceedings of the National Academy of Sciences of the United States of America·E P FriisJ Ulstrup
Apr 27, 1992·Physical Review Letters·A E García
Aug 25, 1999·European Biophysics Journal : EBJ·A PaciaroniS Cannistraro
Apr 26, 2001·Proceedings of the National Academy of Sciences of the United States of America·J S Marvin, H W Hellinga
Feb 28, 2002·Journal of the American Chemical Society·M van GastelE J J Groenen
Jul 18, 2002·Chemical Communications : Chem Comm·Jason J Davis, H Allen O Hill
Oct 15, 2003·Biophysical Chemistry·Anna Rita BizzarriSalvatore Cannistraro
Dec 5, 2003·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Beatrice BonanniSalvatore Cannistraro
Mar 3, 2004·Biophysical Journal·Ming-Liang TanJosé Nelson Onuchic
Apr 20, 2004·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·P P PompaG W Canters
Apr 29, 2004·Journal of the American Chemical Society·Jianwei ZhaoAndrew Hung
Sep 29, 2004·Ultramicroscopy·Dario AlliataSalvatore Cannistraro
Aug 3, 2005·European Journal of Cancer : Official Journal for European Organization for Research and Treatment of Cancer (EORTC) [and] European Association for Cancer Research (EACR)·Umberto Veronesi, Bernardo Bonanni
Apr 30, 1998·The Journal of Physical Chemistry. B·A D MacKerellM Karplus

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Citations

Jan 30, 2016·Quarterly Reviews of Biophysics·Musa OzboyaciRebecca C Wade
Oct 22, 2008·Biophysical Chemistry·Ines Delfino, Salvatore Cannistraro
Jul 31, 2009·Journal of Molecular Recognition : JMR·Anna Rita BizzarriSalvatore Cannistraro
Jan 14, 2009·Journal of Molecular Recognition : JMR·Monia TarantaSalvatore Cannistraro
Aug 19, 2007·Journal of Molecular Recognition : JMR·Valentina De GrandisSalvatore Cannistraro
Jul 26, 2017·Engineering in Life Sciences·Sebastian SchwamingerSonja Berensmeier
Nov 27, 2008·Langmuir : the ACS Journal of Surfaces and Colloids·Tomoaki HagiwaraHisahiko Watanabe
Aug 10, 2017·Langmuir : the ACS Journal of Surfaces and Colloids·Anna Rita BizzarriSalvatore Cannistraro

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