A simple approach to the solvent reorganization Gibbs free energy in electron transfer reactions of redox metalloproteins

Citation
Yi. Kharkats et J. Ulstrup, A simple approach to the solvent reorganization Gibbs free energy in electron transfer reactions of redox metalloproteins, CHEM P LETT, 303(3-4), 1999, pp. 320-324
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
303
Issue
3-4
Year of publication
1999
Pages
320 - 324
Database
ISI
SICI code
0009-2614(19990409)303:3-4<320:ASATTS>2.0.ZU;2-B
Abstract
We discuss a simple model for the environmental reorganisation Gibbs free e nergy, E-r, in electron transfer between a metalloprotein and a small react ion partner. The protein is represented as a dielectric globule with low di electric constant, the metal centres as conducting spheres, all embedded in a continuous solvent with high dielectric constant. This model has previou sly reproduced thermodynamic metalloprotein properties. E-r takes an analyt ic form expressed by a continuous image charge distribution, and depends we akly on the globular radius, indicating that repolarisation at the globule/ solvent interface contributes less to these effects than to the work terms and driving force. (C) 1999 Elsevier Science B.V. All rights reserved.