PMID: 9141137Apr 1, 1997

Self-consistent field approach to protein structure and stability. I: pH dependence of electrostatic contribution

Proteins
R A Dimitrov, R R Crichton

Abstract

Starting from the simple case of an external field acting on noninteracting particles, a formulation of the self-consistent field theory for treating proteins and unfolded protein chains with multiple interacting titratable groups is given. Electrostatic interactions between the titratable groups are approximated by a Debye-Huckel expression. Amino acid residues are treated as polarizable bodies with a single dielectric constant. Dielectric properties of protein molecules are described in terms of local dielectric constants determined by the space distribution of residue volume density around each ionized residue. Calculations are based on average charges of titratable groups, distance of separation between them, on their pKa's, residue volumes and on the local dielectric constant. A set of different residue volumes is used to analyze the influence of the permanent dipole of polar parts of the residue on calculated titration curves, electrostatic contribution to the free energy of protein stability, and pK shifts. Calculations with zero volumes--which means that charged portions of protein molecules are viewed as part of the high dielectric medium--give good agreement with experimental data. The theory was tested against most a...Continue Reading

References

May 26, 1992·Biochemistry·C Q HuC N Pace
Jul 1, 1991·Proceedings of the National Academy of Sciences of the United States of America·P BerozaG Feher
Feb 6, 1990·Biochemistry·D Stigter, K A Dill
Sep 1, 1988·Protein Engineering·H NakamuraA Wada
Jan 1, 1988·Proteins·M K Gilson, B Honig
Apr 19, 1988·Biochemistry·A WlodawerG L Gilliland
Nov 1, 1986·Biopolymers·M K Gilson, B Honig
Aug 5, 1985·Journal of Molecular Biology·M K GilsonB Honig
Dec 20, 1985·Journal of Molecular Biology·R J Zauhar, R S Morgan
May 23, 1972·Biochemistry·C Tanford, R Roxby
Oct 1, 1969·Biochemistry·S Iida, T Ooi
Feb 14, 1971·Journal of Molecular Biology·B Lee, F M Richards
Jun 5, 1982·Journal of Molecular Biology·J Warwicker, H C Watson
Sep 1, 1984·Proceedings of the National Academy of Sciences of the United States of America·B Honig, W L Hubbell
Mar 1, 1980·Journal of Biochemistry·S KuramitsuK Nakashima
Mar 1, 1993·Proteins·A S YangB Honig
Feb 14, 1995·Proceedings of the National Academy of Sciences of the United States of America·T Simonson, D Perahia
Feb 1, 1994·Protein Science : a Publication of the Protein Society·Z S Hendsch, B Tidor
May 6, 1994·Journal of Molecular Biology·J AntosiewiczM K Gilson
May 20, 1993·Journal of Molecular Biology·A S Yang, B Honig

Citations

Jun 25, 2004·Nucleic Acids Research·A BhaduriR Sowdhamini
Mar 15, 2013·The Journal of Chemical Physics·Nicholus BhattacharjeeParbati Biswas
Apr 23, 2008·Current Protocols in Bioinformatics·Carolyn A Fitch, Bertrand García-Moreno E

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