Importance of the Intramolecular Hydrogen Bond on the Photochemistry of Anionic Hydroquinone (FADH-) in DNA Photolyase

被引：16

作者：

Ai, Yue-Jie ^{[1
,2
]}

Zhang, Feng ^{[1
,2
]}

Chen, Shu-Feng ^{[2
]}

Luo, Yi ^{[1
,3
]}

Fang, Wei-Hai ^{[2
]}

机构：

[1] Royal Inst Technol, Sch Biotechnol, Dept Theoret Chem, S-10691 Stockholm, Sweden

[2] Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China

[3] Univ Sci & Technol China, Dept Chem Phys, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2010年 / 1卷 / 04期

基金：

瑞典研究理事会;

关键词：

ULTRAFAST DYNAMICS; CRYSTAL-STRUCTURE; FLAVIN COFACTOR; STATES; CRYPTOCHROME; MOLECULES; MODEL; COLI;

D O I：

10.1021/jz900434z

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 structured 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.

引用

页码：743 / 747

页数：5

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