Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein

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	Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein
	Li, Jingwen 1,2; Wang, Yefei 1,2; Chen, Jingfei 1,2; Liu, Zhijun 3; Bax, Ad 4; Yao, Lishan 1,2
刊名	JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
	2016-02-17
卷号	138 期号:6 页码:1824-1827
英文摘要	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.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Multidisciplinary
研究领域[WOS]	Chemistry
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记录号	WOS:000370582900021
公开日期	2016-05-03
内容类型	期刊论文
源URL	[http://ir.qibebt.ac.cn/handle/337004/8021]
专题	青岛生物能源与过程研究所_仿真模拟团队
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
推荐引用方式 GB/T 7714	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.