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Protein Assistance in the Photoisomerization of Rhodopsin and 9-cis-RhodopsinInsights from Experiment and Theory

Supporting Info

Sivakumar Sekharan,^† Minoru Sugihara,^† Oliver Weingart,^† Tetsuji Okada,*^‡ and Volker Buss*^†;

Departments of Chemistry and Physics, University of Duisburg-Essen, 47048 Duisburg, Germany, and Biological Information Research Center, National Institute of Advanced Industrial Science and Technology, AIST 2-41-6 Aomi, Koto-ku, Tokyo 135-0064, Japan

J. Am. Chem. Soc., 2007, 129 (5), pp 1052–1054

DOI: 10.1021/ja066970p

Publication Date (Web): January 10, 2007

†

University Duisburg-Essen at Duisburg.

In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

‡

AIST.

, volker.buss@uni-due.de, ; , t-okada@aist.go.jp

Abstract

The artificial isomeric 9-cis form of retinal has been investigated within the chromophore binding pocket of rhodopsin by x-ray crystallography and quantum-mechanics with particular emphasis on the geometry imposed on the chromophore by the protein. Comparison with the native 11-cis-rhodopsin structure reveals similarities and differences providing valuable insights into the photophysical properties of the visual pigment.

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