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  Concerted Asynchronous Hula-Twist Photoisomerization in the S65T/H148D Mutant of Green Fluorescent Protein

Zhang, Q., Chen, X., Cui, G., Fang, W.-H., & Thiel, W. (2014). Concerted Asynchronous Hula-Twist Photoisomerization in the S65T/H148D Mutant of Green Fluorescent Protein. Angewandte Chemie International Edition, 53(33), 8649-8653. doi:10.1002/anie.201405303.

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anie_201405303_sm_miscellaneous_information.pdf (Supplementary material), 2MB
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anie_201405303_sm_miscellaneous_information.pdf
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Supporting Information
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Copyright Date:
2014
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Wiley-VCH 69451 Weinheim, Germany
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 Creators:
Zhang, Qiangqiang1, Author
Chen, Xuebo1, Author
Cui, Ganglong2, Author           
Fang, Wei-Hai1, Author
Thiel, Walter2, Author           
Affiliations:
1Key Laboratory of Theoretical and Computational Photochemistry of the Chinese Ministry of Education Chemistry College, Beijing Normal University, Beijing 100875 (China), ou_persistent22              
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              

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Free keywords: green fluorescent protein · hula-twist · photoisomerization · proton transfer · QM/MM
 Abstract: Fluorescence emission of wild-type green fluorescent protein (GFP) is lost in the S65T mutant, but partly recovered in the S65T/H148D double mutant. These experimental findings are rationalized by a combined quantum mechanics/molecular mechanics (QM/MM) study at the QM(CASPT2// CASSCF)/AMBER level. A barrierless excited-state proton transfer, which is exclusively driven by the Asp148 residue introduced in the double mutant, is responsible for the ultrafast formation of the anionic fluorescent state, which can be deactivated through a concerted asynchronous hula-twist photoisomerization. This causes the lower fluorescence quantum yield in S65T/H148D compared to wild-type GFP. Hydrogen out-of-plane motion plays an important role in the deactivation of the S65T/H148D fluorescent state.

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Language(s): eng - English
 Dates: 2014-05-152014-07-142014-08-11
 Publication Status: Published in print
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/anie.201405303
 Degree: -

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Title: Angewandte Chemie International Edition
  Other : Angew. Chem., Int. Ed.
  Other : Angew. Chem. Int. Ed.
  Other : Angewandte Chemie, International Edition
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: 5 Volume / Issue: 53 (33) Sequence Number: - Start / End Page: 8649 - 8653 Identifier: ISSN: 1433-7851
CoNE: https://pure.mpg.de/cone/journals/resource/1433-7851