Characterization of the intermediate in and identification of the repair mechanism of (6-4) photolesions by photolyases

Quantum mechanics/molecular mechanics calculations are employed to assign previously recorded experimental spectroscopic signatures of the intermediates occurring during the photo-induced repair of (6-4) photolesions by photolyases to specific molecular structures. Based on this close comparison of...

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Hauptverfasser: Faraji, Shirin (VerfasserIn) , Dreuw, Andreas (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 21 March 2016
In: Angewandte Chemie. International edition
Year: 2016, Jahrgang: 55, Heft: 17, Pages: 5175-5178
ISSN:1521-3773
DOI:10.1002/anie.201511950
Online-Zugang:Verlag, Volltext: http://dx.doi.org/10.1002/anie.201511950
Verlag, Volltext: http://onlinelibrary.wiley.com/doi/10.1002/anie.201511950/abstract
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Verfasserangaben:Shirin Faraji, Dongping Zhong, and Andreas Dreuw

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520 |a Quantum mechanics/molecular mechanics calculations are employed to assign previously recorded experimental spectroscopic signatures of the intermediates occurring during the photo-induced repair of (6-4) photolesions by photolyases to specific molecular structures. Based on this close comparison of experiment and theory it is demonstrated that the acting repair mechanism involves proton transfer from the protonated His365 to the N3′ nitrogen of the lesion, which proceeds simultaneously with intramolecular OH transfer along an oxetane-like transition state. 
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