Journal of the American Chemical Society · 2012 · 45 citations · 33 references
Biophysical ModelingElectronic DecayMolecular BiologyRetinal ChromophoreGanglion CellSingle Molecule BiophysicsRetinaProtein FoldingComputational BiochemistryBiophysicsProtein ChemistryBiochemistryMechanistic PhotochemistryBackbone ModificationBiomolecular InteractionMethyl GroupPhotoreceptor CellSignal TransductionNatural SciencesMolecular BiophysicsMedicine
The drastically different reactivity of the retinal chromophore in solution compared to the protein environment is poorly understood. Here, we show that the addition of a methyl group to the C═C backbone of all-trans retinal protonated Schiff base accelerates the electronic decay in solution making it comparable to the proton pump bacteriorhodopsin. Contrary to the notion that reaction speed and efficiency are linked, we observe a concomitant 50% reduction in the isomerization yield. Our results demonstrate that minimal synthetic engineering of potential energy surfaces based on theoretical predictions can induce drastic changes in electronic dynamics toward those observed in an evolution-optimized protein pocket.
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The First Step in Vision: Femtosecond Isomerization of Rhodopsin
R. W. Schoenlein, Linda A. Peteanu, R. A. Mathies et al. · Science · 1991 · 870 citations
Remedios González-Luque, Marco Garavelli, Fernando Bernardi et al. · Proceedings of the National Academy of Sciences · 2000 · 332 citations
Engineering, Computational Evidence, Computational Chemistry +21