The elastic free energy of a tandem modular protein under force

Biochemical and Biophysical Research Communications
Jessica Valle-OreroJulio M Fernandez

Abstract

Recent studies have provided a theoretical framework for including entropic elasticity in the free energy landscape of proteins under mechanical force. Accounting for entropic elasticity using polymer physics models has helped explain the hopping behavior seen in single molecule experiments in the low force regime. Here, we expand on the construction of the free energy of a single protein domain under force proposed by Berkovich et al. to provide a free energy landscape for N tandem domains along a continuous polypeptide. Calculation of the free energy of individual domains followed by their concatenation provides a continuous free energy landscape whose curvature is dominated by the worm-like chain at forces below 20 pN. We have validated our free energy model using Brownian dynamics and reproduce key features of protein folding. This free energy model can predict the effects of changes in the elastic properties of a multidomain protein as a consequence of biological modifications such as phosphorylation or the formation of disulfide bonds. This work lays the foundations for the modeling of tissue elasticity, which is largely determined by the properties of tandem polyproteins.

References

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Citations

Jun 9, 2016·Biomacromolecules·Zackary N SchollPiotr E Marszalek
Jul 14, 2016·Journal of the American Chemical Society·Ionel PopaJulio M Fernández
May 5, 2017·Angewandte Chemie·Jessica Valle-OreroJulio M Fernández
Jan 14, 2018·Nature Communications·David GigantiJorge Alegre-Cebollada
Aug 8, 2020·The FEBS Journal·Sabita SharmaIonel Popa
Aug 5, 2020·Proceedings of the National Academy of Sciences of the United States of America·Candice GautierStefano Gianni
Sep 25, 2017·Nature Communications·Shubhasis HaldarJulio M Fernandez
Nov 6, 2018·Physical Review Letters·Kirill Shmilovich, Ionel Popa
Mar 9, 2017·Nanotechnology·Jessica Valle-OreroIonel Popa
Feb 13, 2018·Annual Review of Physiology·Edward C EckelsJulio M Fernández
Dec 21, 2018·Emerging Topics in Life Sciences·Ionel Popa, Jennifer H Gutzman
Jul 31, 2018·The Journal of Physical Chemistry Letters·Ronen BerkovichJulio M Fernández
Jul 21, 2017·The Journal of Physical Chemistry Letters·Jessica Valle-OreroJulio M Fernández
Sep 2, 2021·Biophysics Reviews·Jorge Alegre-Cebollada

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