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Electron-transfer reactions in proteins: a calculation of electronic coupling

Siddarth, Prabha and Marcus, R. A. (1990) Electron-transfer reactions in proteins: a calculation of electronic coupling. Journal of Physical Chemistry, 94 (22). pp. 8430-8434. ISSN 0022-3654. https://resolver.caltech.edu/CaltechAUTHORS:20150513-151932588

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Abstract

The distance and medium dependences of the electronic coupling for electron-transfer reactions in proteins (particularly the ruthenated myoglobins studied by Gray et al.) are calculated. An extended-Hückel method is used to treat individually the donor, the acceptor, and the intervening protein. A search method is used to select a subset (~15-20) of the approximately 150 amino acid residues as being the most relevant for the electron transfer. Approximate agreement is found between ratios of experimental matrix elements (approximated as ratios of square roots of rate constants) and of calculated electronic matrix elements. No adjustable parameters were introduced in the diagonalization. Only parameters available in the literature from other (non-electron-transfer) sources were employed.


Item Type:Article
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http://dx.doi.org/10.1021/j100385a015 DOIArticle
http://pubs.acs.org/doi/abs/10.1021/j100385a015PublisherArticle
ORCID:
AuthorORCID
Marcus, R. A.0000-0001-6547-1469
Additional Information:© 1990 American Chemical Society. Received: March 19, 1990; In Final Form: June 4, 1990. It is a pleasure to acknowledge the support of this research by the National Science Foundation.
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Caltech Arthur Amos Noyes Laboratory8118
Issue or Number:22
Record Number:CaltechAUTHORS:20150513-151932588
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20150513-151932588
Official Citation:Electron-transfer reactions in proteins: a calculation of electronic coupling Prabha. Siddarth and R. A. Marcus The Journal of Physical Chemistry 1990 94 (22), 8430-8434 DOI: 10.1021/j100385a015
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:57511
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:13 May 2015 22:26
Last Modified:22 Nov 2019 09:58

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