Myoglobin molecule charging in electrolyte solutions

Physical Chemistry Chemical Physics : PCCP
Piotr BatysZbigniew Adamczyk

Abstract

All atom molecular dynamic modeling was applied in order to determine water molecule and electrolyte ion concentration profiles around and inside the myoglobin molecule at various pH values. Significant penetration of counter ions into the molecule was confirmed. The electric potential distribution within and outside the molecule was quantitatively described using the non-linear Poisson-Boltzmann (PB) approach. Using this model, calculations were performed, yielding the surface and zeta potential for various physicochemical parameters, comprising pH, the electric permittivity, the ion penetration depth and the protein volume fraction (crowding effect). The theoretical results were used for the interpretation of experimental data acquired under different ionic strengths and temperatures by electrophoretic mobility measurements. It is confirmed that the experimental data are adequately reflected for acidic pH values by the non-linear PB model where the nominal molecule charge was calculated from the H++ model. The deviations occurring for larger pH values were accounted for by considering additional non-electrostatic interactions stemming from the van der Waals and ion-induced dipole forces. In this way, it is both experimentally...Continue Reading

References

Apr 5, 1975·Journal of Molecular Biology·K Ibel
Jun 20, 1990·Journal of Molecular Biology·S V Evans, G D Brayer
Jan 1, 1989·Annual Review of Physiology·B A Wittenberg, J B Wittenberg
Jun 1, 1967·The Journal of Clinical Investigation·N W CarterD W Seldin
Feb 1, 1996·Journal of Molecular Graphics·W HumphreyK Schulten
Apr 24, 2002·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·D HeL Cai
Jan 25, 2003·Molecular & Cellular Proteomics : MCP·Joshua N AdkinsJoel G Pounds
Mar 9, 2005·Archives of Biochemistry and Biophysics·Wiliam C B RegisCarlos H I Ramos
Jun 28, 2005·Nucleic Acids Research·John C GordonAlexey Onufriev
Aug 1, 2006·Advances in Virus Research·Paul S Masters
Jan 11, 2007·The Journal of Chemical Physics·Giovanni BussiMichele Parrinello
Jun 3, 2008·Langmuir : the ACS Journal of Surfaces and Colloids·Barbara JachimskaZbigniew Adamczyk
Mar 10, 2009·Journal of Biochemistry·Rajini SeevaratnamMazen J Hamadeh
Dec 3, 2009·Protein Science : a Publication of the Protein Society·Maurizio Brunori
Feb 8, 2011·Advances in Colloid and Interface Science·Michael RabeStefan Seeger
Aug 13, 2011·Langmuir : the ACS Journal of Surfaces and Colloids·Andrea SalisMaura Monduzzi
Nov 18, 2011·Biomaterials·Erwin A Vogler
Jun 15, 2013·Science·Scott MircetaMichael Berenbrink
Jan 22, 2014·Current Topics in Medicinal Chemistry·Zbigniew AdamczykMonika Wasilewska
May 8, 2014·Journal of Chemical Theory and Computation·Shenggao ZhouJ Andrew McCammon
Mar 15, 2015·Journal of Computational Chemistry·Shenggao ZhouJ Andrew McCammon
Feb 8, 2011·Journal of Chemical Theory and Computation·Mats H M OlssonJan H Jensen
Jul 12, 2011·Journal of Chemical Theory and Computation·Chresten R SøndergaardJan H Jensen
Sep 17, 2017·Colloids and Surfaces. B, Biointerfaces·Małgorzata Nattich-RakMałgorzata Kąkol
Jan 10, 2018·Journal of Colloid and Interface Science·Zbigniew AdamczykMarta Kujda-Kruk
Nov 18, 2018·Colloids and Surfaces. B, Biointerfaces·Svetlana H Hristova, Alexandar M Zhivkov
Jan 27, 2019·Colloids and Surfaces. B, Biointerfaces·Svetlana H Hristova, Alexandar M Zhivkov
Apr 23, 2019·Colloids and Surfaces. B, Biointerfaces·Ghassem RezaeiRassoul Dinarvand
Mar 11, 2020·Cell·Alexandra C WallsDavid Veesler

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Citations

Jun 8, 2021·Current Opinion in Colloid & Interface Science·Zbigniew AdamczykJakub Barbasz

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Methods Mentioned

BETA
electrophoresis
membrane filtration
X-ray
neutron scattering
atomic force microscopy
AFM
electrophoretic mobility
dynamic light scattering

Software Mentioned

PROPKA
MEAD
Gromacs
LINCS
SETTLE

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