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Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein
Li, Jingwen1,2; Wang, Yefei1,2; Chen, Jingfei1,2; Liu, Zhijun3; Bax, Ad4; Yao, Lishan1,2
2016-02-17
发表期刊JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷号138期号:6页码:1824-1827
摘要The presence and extent of hydrogen-bonding (H-bonding) cooperativity in proteins remains a fundamental question, which in the past has been studied extensively, mostly by infrared and fluorescence measurements on model peptides. We demonstrate that such cooperativity can be studied in an intact protein by hydrogen/deuterium exchange NMR spectroscopy. The method is based on the fact that substitution of NH by ND in a backbone amide group slightly weakens the N-H center dot center dot center dot O=C hydrogen bond. Our results show that such substitution at position i in an alpha-helix impacts the H-1 and N-15 chemical shifts of the amide sites of residues i-3 to i + 3. Quantum mechanical calculations indicate that the upfield shifts of H-1 and N-15 resonances at site i, observed upon H/D exchanges at sites i-3, i + 1, i + 2, and i + 3, correspond to a decrease of the ith backbone amide electric dipole moment, which weakens its H-bonding and long-range electrostatic interactions with other backbone amides in the alpha-helix. These results provide new quantitative insights into the cooperativity of H-bonding in protein a-helices.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
DOI10.1021/jacs.5b13140
关键词[WOS]DENSITY-FUNCTIONAL THEORY ; 2D IR SPECTROSCOPY ; FRACTIONATION FACTORS ; SCALAR COUPLINGS ; 3(10)-HELICAL PEPTIDES ; CHEMICAL-SHIFTS ; BETA-SHEETS ; DYNAMICS ; MODELS ; NMR
收录类别SCI
语种英语
WOS研究方向Chemistry
项目资助者National Natural Science Foundation of China(21173247 ; NIDDK, National Institutes of Health (NIH) ; 31270785)
WOS类目Chemistry, Multidisciplinary
WOS记录号WOS:000370582900021
引用统计
文献类型期刊论文
条目标识符http://ir.qibebt.ac.cn/handle/337004/8021
专题蛋白质设计研究组
作者单位1.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Shandong Prov Key Lab Synthet Biol, Qingdao 266061, Peoples R China
2.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Lab Biofuels, Qingdao 266061, Peoples R China
3.Chinese Acad Sci, Natl Ctr Prot Sci Shanghai, Shanghai Inst Biol Sci, Inst Biochem & Cell Biol, Shanghai 201210, Peoples R China
4.NIDDK, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
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Li, Jingwen,Wang, Yefei,Chen, Jingfei,et al. Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2016,138(6):1824-1827.
APA Li, Jingwen,Wang, Yefei,Chen, Jingfei,Liu, Zhijun,Bax, Ad,&Yao, Lishan.(2016).Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,138(6),1824-1827.
MLA Li, Jingwen,et al."Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138.6(2016):1824-1827.
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