Importance of the Intramolecular Hydrogen Bond on the Photochemistry of Anionic Hydroquinone (FADH−) in DNA Photolyase
Source abstract
Abstract
The design of a proper molecular model with a good balance between the size of the model system and the computational capacity is essential for theoretical modeling of biological systems. We have shown in this Letter that the often used model system, a lumiflavin (7,8-dimethy-10-methylisoalloxazine), cannot correctly describe geometrical and electronic structures of FADH − in DNA photolyase. The intramolecular hydrogen bond between the isoalloxazine ring and the ribityl moiety is found to play a significant role in controlling photochemical properties of FADH − in DNA photolyase.
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Research context
OpenAlex topics: Light effects on plants · Photoreceptor and optogenetics research · Photochromic and Fluorescence Chemistry
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
College of Chemistry, Beijing Normal University, Beijing 100875, China
Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden
Hefei National Laboratory for Physical Sciences at the Microscale, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, China
References (17)
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