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  Separation of photo-induced radical pair in cryptochrome to a functionally critical distance

Solov'yov, I. A., Domratcheva, T., & Schulten, K. (2014). Separation of photo-induced radical pair in cryptochrome to a functionally critical distance. Scientific Reports, 4: 3845, pp. 1-8. doi:10.1038/srep03845.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-8FBA-7 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-8FBB-5
Genre: Journal Article

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ScientificRep_4_2014_3845e_1.pdf (Any fulltext), 888KB
 
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Solov'yov, Ilia A. , Author
Domratcheva, Tatiana1, Author              
Schulten, Klaus, Author
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1Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              

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Free keywords: Chemical modification Computational biophysics Photobiology Biological physics
 Abstract: Cryptochrome is a blue light receptor that acts as a sensor for the geomagnetic field and assists many animals in long-range navigation. The magnetoreceptor function arises from light-induced formation of a radical pair through electron transfer between a flavin cofactor (FAD) and a triad of tryptophan residues. Here, this electron transfer is investigated by quantum chemical and classical molecular dynamics calculations. The results reveal how sequential electron transfer, assisted by rearrangement of polar side groups in the cryptochrome interior, can yield a FAD-Trp radical pair state with the FAD and Trp partners separated beyond a critical distance. The large radical pair separation reached establishes cryptochrome's sensitivity to the geomagnetic field through weakening of distance-dependent exchange and dipole-dipole interactions. It is estimated that the key secondary electron transfer step can overcome in speed both recombination (electron back-transfer) and proton transfer involving the radical pair reached after primary electron transfer.

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Language(s): eng - English
 Dates: 2013-10-212013-12-272014-01-242014-01-24
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1038/srep03845
Other: 7950
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Title: Scientific Reports
  Abbreviation : Sci. Rep.
Source Genre: Journal
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Pages: - Volume / Issue: 4 Sequence Number: 3845 Start / End Page: 1 - 8 Identifier: Other: 2045-2322
CoNE: https://pure.mpg.de/cone/journals/resource/2045-2322