Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins

Annapaola Migani, Adalgisa Sinicropi, Nicolas Ferré, Alessandro Cembran, Marco Garavelli, Massimo Olivucci

Research output: Contribution to journalArticlepeer-review

57 Scopus citations

Abstract

In this paper we employ a CASSCF/AMBER quantum-mechanics/molecular- mechanics tool to map the intersection space (IS) of a protein. In particular, we provide evidence that the S1excited-state potential-energy surface of the visual photoreceptor rhodopsin is spanned by an IS segment located right at the bottom of the surface. Analysis of the molecular structures of the protein chromophore (a protonated Schiff base of retinal) along IS reveals a type of geometrical deformation not observed in vacuo. Such a structure suggests that conical intersections mediating different photochemical reactions reside along the same intersection space. This conjecture is investigated by mapping the intersection space of the rhodopsin chromophore model 2-Z-hepta-2,4,6-trieniminium cation and of the conjugated hydrocarbon 3-Z-deca-1,3,5,6,7-pentaene.

Original languageEnglish (US)
Pages (from-to)179-191
Number of pages13
JournalFaraday Discussions
Volume127
DOIs
StatePublished - Jan 1 2004

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