Influence of pressure on the low‐frequency vibrational modes of lysozyme and water: A complementary inelastic neutron scattering and molecular dynamics simulation study
Abstract
We performed complementary inelastic neutron scattering (INS) experiments and molecular dynamics (MD) simulations to study the influence of pressure on the low‐frequency vibrational modes of lysozyme in aqueous solution in the 1 atm–6 kbar range. Increasing pressure induces a high‐frequency shift of the low‐frequency part (<10 meV = 80 cm−1) of the vibrational density of states (VDOS), g(ω), of both lysozyme and water that reveals a stiffening of the interactions ascribed to the reduction of the protein and water volumes. Accordingly, high pressures increase the curvature of the free energy profiles of the protein quasiharmonic vibrational modes. Furthermore, the nonlinear influence of pressure on the g(ω) of lysozyme indicates a change of protein dynamics that reflects the nonlinear pressure dependence of the protein compressibility. An analogous dynamical change is observed for water and stems from the distortion of its tetrahedral structure under pressure. Moreover, our study reveals that the structural, dynamical, and vibrational properties of the hydration water of lysozyme are less sensitive to pressure than those of bulk water, thereby evidencing the strong influence of the protein surface on hydration water. Proteins 2013. © 2012 Wiley Periodicals, Inc.
Number of times cited: 16
- S. R. Al-Ayoubi, P. H. Schummel, M. Golub, J. Peters and R. Winter, Influence of cosolvents, self-crowding, temperature and pressure on the sub-nanosecond dynamics and folding stability of lysozyme, Physical Chemistry Chemical Physics, 19, 22, (14230), (2017).
- Alberto Carpinteri, Giuseppe Lacidogna, Gianfranco Piana and Andrea Bassani, Terahertz mechanical vibrations in lysozyme: Raman spectroscopy vs modal analysis, Journal of Molecular Structure, 10.1016/j.molstruc.2017.02.099, 1139, (222-230), (2017).
- Daniel R. Martin and Dmitry V. Matyushov, Terahertz absorption of lysozyme in solution, The Journal of Chemical Physics, 147, 8, (084502), (2017).
- Alline Artigiani Lima Tribst, Luma Rossi Ribeiro and Marcelo Cristianini, Comparison of the effects of high pressure homogenization and high pressure processing on the enzyme activity and antimicrobial profile of lysozyme, Innovative Food Science & Emerging Technologies, 43, (60), (2017).
- Salman Seyedi and Dmitry V. Matyushov, Ergodicity breaking of iron displacement in heme proteins, Soft Matter, 13, 44, (8188), (2017).
- Daniela Russo, Alessio Laloni, Alessandra Filabozzi and Matthias Heyden, Pressure effects on collective density fluctuations in water and protein solutions, Proceedings of the National Academy of Sciences, 114, 43, (11410), (2017).
- Daniel R. Martin, James E. Forsmo and Dmitry V. Matyushov, Complex Dynamics of Water in Protein Confinement, The Journal of Physical Chemistry B, (2017).
- Marie-Claire Bellissent-Funel, Ali Hassanali, Martina Havenith, Richard Henchman, Peter Pohl, Fabio Sterpone, David van der Spoel, Yao Xu and Angel E Garcia, Water Determines the Structure and Dynamics of Proteins, Chemical Reviews, 10.1021/acs.chemrev.5b00664, 116, 13, (7673-7697), (2016).
- Katrin Amann-Winkel, Marie-Claire Bellissent-Funel, Livia E. Bove, Thomas Loerting, Anders Nilsson, Alessandro Paciaroni, Daniel Schlesinger and Lawrie Skinner, X-ray and Neutron Scattering of Water, Chemical Reviews, 116, 13, (7570), (2016).
- Trung Quan Luong, Shobhna Kapoor and Roland Winter, Pressure—A Gateway to Fundamental Insights into Protein Solvation, Dynamics, and Function, ChemPhysChem, 16, 17, (3555-3571), (2015).
- M. Erlkamp, J. Marion, N. Martinez, C. Czeslik, J. Peters and R. Winter, Influence of Pressure and Crowding on the Sub-Nanosecond Dynamics of Globular Proteins, The Journal of Physical Chemistry B, 119, 14, (4842), (2015).
- M. Monkenbusch, A. Stadler, R. Biehl, J. Ollivier, M. Zamponi and D. Richter, Fast internal dynamics in alcohol dehydrogenase, The Journal of Chemical Physics, 143, 7, (075101), (2015).
- Eva Kutálková, Josef Hrnčiřík and Marek Ingr, Pressure induced structural changes and dimer destabilization of HIV-1 protease studied by molecular dynamics simulations, Phys. Chem. Chem. Phys., 10.1039/C4CP03676J, 16, 47, (25906-25915), (2014).
- Paola Sassi, Stefania Perticaroli, Lucia Comez, Alessandra Giugliarelli, Marco Paolantoni, Daniele Fioretto and Assunta Morresi, Volume properties and spectroscopy: A terahertz Raman investigation of hen egg white lysozyme, The Journal of Chemical Physics, 10.1063/1.4838355, 139, 22, (225101), (2013).
- Anton V. Sinitskiy and Gregory A. Voth, Coarse-graining of proteins based on elastic network models, Chemical Physics, 10.1016/j.chemphys.2013.01.024, 422, (165-174), (2013).
- David A. Turton, Hans Martin Senn, Thomas Harwood, Adrian J. Lapthorn, Elizabeth M. Ellis and Klaas Wynne, Terahertz underdamped vibrational motion governs protein-ligand binding in solution, Nature Communications, 10.1038/ncomms4999, 5, (2014).
