The medium reorganization energy for the charge transfer reactions in proteins.

作者: Lev I. Krishtalik

DOI: 10.1016/J.BBABIO.2011.07.002

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摘要: Abstract A low static dielectric permittivity of proteins causes the reorganization energies for charge transfer reactions inside them. This energy does not depend on pre-existing intraprotein electric field. The transferred protein interacts with its aqueous surroundings; many globular proteins, effect this surroundings is comparable itself while in middle membrane phase plays a minor role. Reorganization depends strongly system considered, and hence there no sense to speak “protein energy” as some permanent characteristic parameter. We employed simple algorithm calculation medium using numerical solution Poisson–Boltzmann equation. Namely, reaction field was computed two versions — all media having optical permittivity, one; difference these quantities gives energy. have calculated electron cytochrome c, various ammine-ruthenated cytochromes azurin, ferredoxin, c oxidase, complex methylamine dehydrogenase amicyanin, proton α-chymotrypsin. It shown that can be useful tool analysis mechanisms proteins.

参考文章(101)
Andrey M Kuznetsov, Ekaterina M Zueva, Alexei N Masliy, Lev I Krishtalik, None, Redox potential of the Rieske iron-sulfur protein quantum-chemical and electrostatic study. Biochimica et Biophysica Acta. ,vol. 1797, pp. 347- 359 ,(2010) , 10.1016/J.BBABIO.2009.12.004
Derek Bendall, Protein Electron Transfer Bios Scientific. ,(1997) , 10.1201/9781003076803
Lev I. Krishtalik, Fast electron transfers in photosynthetic reaction centre: effect of the time-evolution of dielectric response Biochimica et Biophysica Acta (BBA) - Bioenergetics. ,vol. 1228, pp. 58- 66 ,(1995) , 10.1016/0005-2728(94)00160-7
Lev I. Krishtalik, Continuum electrostatics of proteins: Experimental test with model solvents and the method of the proteins pK calculations principles and practice of constraint programming. ,vol. 319, pp. 316- 329 ,(2005) , 10.1016/J.CHEMPHYS.2005.04.013
Donald Bashford, Electrostatic effects in biological molecules Current Opinion in Structural Biology. ,vol. 1, pp. 175- 184 ,(1991) , 10.1016/0959-440X(91)90058-2
Ivano Bertini, J.Gaspard Huber, Claudio Luchinat, Mario Piccioli, Protein hydration and location of water molecules in oxidized horse heart cytochrome c by (1)H NMR. Journal of Magnetic Resonance. ,vol. 147, pp. 1- 8 ,(2000) , 10.1006/JMRE.2000.2131
Edward L. Mertz, Ernst D. German, Alexander M. Kuznetsov, Calculation of the solvent reorganization free energy in the dielectric cavity model Chemical Physics. ,vol. 215, pp. 355- 370 ,(1997) , 10.1016/S0301-0104(96)00356-4
Emma Sigfridsson, Mats HM Olsson, Ulf Ryde, None, Inner-sphere reorganization energy of iron-sulfur clusters studied with theoretical methods. Inorganic Chemistry. ,vol. 40, pp. 2509- 2519 ,(2001) , 10.1021/IC000752U