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Biophysical Journal 47: 349-355 (1985)
© 1985 the Biophysical Society

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Substituents at the C13 Position of Retinal and Their Influence on the Function of Bacteriorhodopsin

Paul Tavan, Klaus Schulten, Wolfgang Gärtner and Dieter Oesterhelt

ABSTRACT

Retinal analogues in which the 13-methyl group is replaced by H, C2H5, CF3, and OCH3 residues are studied by means of quantumchemical modified neglect of diatomic overlap-correlated version (MNDOC) calculations. The analogues are suitable to test the stereochemical mechanism of proton pumping in bacteriorhodopsin. The results explain the proton-pumping activities of bacterio-opsin reconstituted with these analogues and elucidate the decisive role of retinal's ground-state intramolecular properties in the pump cycle of bacteriorhodopsin.






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Copyright © 1985 by the Biophysical Society.