Estimating hydration changes upon biomolecular reactions from osmotic stress, high pressure, and preferential hydration experiments

Shimizu, S (2004) Estimating hydration changes upon biomolecular reactions from osmotic stress, high pressure, and preferential hydration experiments. Proceedings of the National Academy of Sciences, USA. pp. 1195-1199. ISSN 0027-8424

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Published Version: http://dx.doi.org/10.1073/pnas.0305836101

Abstract

How do we estimate, from thermodynamic measurements, the number of water molecules adsorbed or released from biomolecules as a result of a biochemical process such as binding and allosteric effects? Volumetric and osmotic stress analyses are established methods for estimating water numbers; however, these techniques often yield conflicting results. In contrast, Kirkwood-Buff theory offers a novel way to calculate excess hydration number from volumetric data, provides a quantitative condition to gauge the accuracy of osmotic stress analysis, and clarifies the relationship between osmotic and volumetric analyses. I have applied Kirkwood-Buff theory to calculate water numbers for two processes: (i) the allosteric transition of hemoglobin and (h) the binding of camphor to cytochrome P450. I show that osmotic stress analysis may overestimate hydration number changes for these processes.

Item Type:	Article
Copyright, Publisher and Additional Information:	© 2004 by The National Academy of Sciences of the USA
Keywords:	water, partial molar volume, preferential interaction, hemoglobin, cytochrome P450, PARTIAL MOLAR VOLUME, PROTEIN HYDRATION, HYDROPHOBIC SOLUTES, BINDING, WATER, HEMOGLOBIN, THERMODYNAMICS, SOLVATION, SOLVENT, COMPRESSIBILITY
Academic Units:	The University of York > Chemistry (York)
Depositing User:	Repository Officer
Date Deposited:	01 Jul 2005
Last Modified:	19 Feb 2013 11:55
Published Version:	http://dx.doi.org/10.1073/pnas.0305836101
Status:	Published
Refereed:	Yes
Related URLs:	http://www.pnas.org/cgi/reprint/101/5/11...
URI:	http://eprints.whiterose.ac.uk/id/eprint/543

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