Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR

doi:10.1021/jacs.7b13345

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	Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR
	Li, Jingwen 1,2,3; Wang, Yefei 1,2; An, Liaoyuan 1,2; Chen, Jingfei 1,2; Yao, Lishan 1,2
刊名	JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
	2018-03-07
卷号	140 期号:9 页码:3194-3197
ISSN号	0002-7863
DOI	10.1021/jacs.7b13345
文献子类	Article
英文摘要	van der Waals interactions are important to protein stability and function. These interactions are usually identified empirically based on protein 3D structures. In this work, we performed a solution nuclear magnetic resonance (NMR) spectroscopy study of van der Waals interactions by detecting the through-space (vdw)J(CC)-coupling between protein aliphatic side chain groups. Specifically, (vdw)J(CC)-coupling values up to similar to 0.5 Hz were obtained between the methyl and nearby aliphatic groups in protein GB3, providing direct experimental evidence for the van der Waals interactions. Quantum mechanical calculations suggest that the J-coupling is correlated with the exchange-repulsion term of van der Waals interaction. NMR detection of (vdw)J(CC)-coupling offers a new tool to characterize such interactions in proteins.
WOS关键词	HYDROGEN-BONDS ; SCALAR COUPLINGS ; TEMPERATURE-DEPENDENCE ; DIPOLAR COUPLINGS ; METHYL ; CONSTANTS ; SPECTROSCOPY ; (3H)J(NC') ; ENERGETICS ; COMPLEXES
WOS研究方向	Chemistry
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000427203600006
资助机构	National Key R&D Program of China(2017YFA0505400) ; National Natural Science Foundation of China(31661143036 ; 31600051)
内容类型	期刊论文
源URL	[http://ir.qibebt.ac.cn/handle/337004/10685]
专题	青岛生物能源与过程研究所_仿真模拟团队
通讯作者	Yao, Lishan
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.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Li, Jingwen,Wang, Yefei,An, Liaoyuan,et al. Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2018,140(9):3194-3197.
APA	Li, Jingwen,Wang, Yefei,An, Liaoyuan,Chen, Jingfei,&Yao, Lishan.(2018).Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,140(9),3194-3197.
MLA	Li, Jingwen,et al."Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140.9(2018):3194-3197.