Pressure denaturation of apomyoglobin: a molecular dynamics simulation study

Biochimica Et Biophysica Acta
Andrés N McCarthy, J Raúl Grigera

Abstract

The effect of pressure on the structure and mobility of Sperm Wale Apomyoglobin was studied by Molecular Dynamics computer simulation at 1 bar and 3 kbar (1 atm=1.01325 bar=101.325 kPa). The results are in good agreement with the available experimental data, allowing further analysis of other features of the effect of pressure on the protein solution. From the analysis of Secondary Structures (SS) along the trajectories it is observed that alpha-helixes are favoured under pressure at the expense of bends, turns and 3-helixes. The studies of mobility show that although the general mobility is restricted under pressure this is not true for some particular residues. The studies of tertiary structure show important conformational changes. The evolution of the Solvent Accessed Surface (SAS) with pressure shows a notorious increase due almost completely to a biased raise in the hydrophobic area exposed, which consequently shows that the hydrophobic interaction is considerably weaker under high hydrostatic pressure conditions.

References

Oct 20, 1992·Biochemistry·D B KitchenR M Levy
Oct 9, 1973·Biochemistry·A Zipp, W Kauzmann
Feb 1, 1983·Quarterly Reviews of Biophysics·G Weber, H G Drickamer
Jun 13, 1995·Biochemistry·J D Hirst, C L Brooks
Jan 1, 1994·Annual Review of Biophysics and Biomolecular Structure·J Jonas, A Jonas
Apr 27, 1993·Biochemistry·J Tirado-Rives, W L Jorgensen
Mar 21, 1998·Proceedings of the National Academy of Sciences of the United States of America·G HummerL R Pratt
Oct 29, 1998·Protein Science : a Publication of the Protein Society·K J Frye, C A Royer
May 2, 2002·Biochimica Et Biophysica Acta·Boonchai B BoonyaratanakornkitDouglas S Clark
Jun 25, 2002·Journal of Molecular Biology·Ryo KitaharaPeter E Wright
Oct 4, 2003·Physical Review Letters·Manuel I MarquésNikolay V Dokholyan
Jul 31, 2004·Methods : a Companion to Methods in Enzymology·Yuji O KamatariKazuyuki Akasaka
Feb 9, 2005·Physical Review Letters·Y Q CaiC C Kao

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Citations

Dec 1, 2007·Journal of Biological Physics·Osvaldo CharaAndrés N McCarthy
Jan 2, 2008·PLoS Computational Biology·Sebastian BassiGustavo Parisi
Apr 23, 2010·Biophysical Journal·J Raúl Grigera, Andres N McCarthy
Jul 16, 2019·Biochimica Et Biophysica Acta. General Subjects·Hiroaki HataAkio Kitao

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