TCB Publications - Abstract

Paul Tavan, Klaus Schulten, Wolfgang Gärtner, and Dieter Oesterhelt. Substituents at the C13 position of retinal and their influence on the function of bacteriorhodopsin. Biophysical Journal, 47:349-356, 1985. (PMC: 1435211)

TAVA85A Retinal analogues in which the 13-methyl group is replaced by H, $C_{2}H_{5}$, $CF_{3}$ and $OCH_{3}$ 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 bacteriorhodospin. 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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