Space and Time Evolution of the Electrostatic Potential during the Activation of a Visual Pigment

Federico Melaccio*, Nicolas Calimet, Igor Schapiro, Alessio Valentini, Marco Cecchini, Massimo Olivucci

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

Animal and microbial retinal proteins employ the Schiff base of retinal as their chromophore. Here, the possible consequences of the charge translocation associated with the light-induced dynamics of the chromophore of a visual opsin are investigated along a representative semiclassical trajectory. We show that the evolution of the electrostatic potential projected by the chromophore onto the surrounding protein displays intense but topographically localized sudden variations in proximity of the decay region. pKa calculations carried out on selected snapshots used as probes, indicate that the only residue which may be sensitive to the electrostatic potential shift is Glu181. Accordingly, our results suggest that the frail Tyr191/268-Glu181-Wat2-Ser186 hydrogen bond network may be perturbed by the transient variations of the electrostatic potential.

Original languageAmerican English
Pages (from-to)2563-2567
Number of pages5
JournalJournal of Physical Chemistry Letters
Volume7
Issue number13
DOIs
StatePublished - 7 Jul 2016

Bibliographical note

Publisher Copyright:
© 2016 American Chemical Society.

Fingerprint

Dive into the research topics of 'Space and Time Evolution of the Electrostatic Potential during the Activation of a Visual Pigment'. Together they form a unique fingerprint.

Cite this