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

doi:10.1021/jacs.7b13345

QIBEBT-IR > 蛋白质设计研究组

	Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR
	Li, Jingwen 1,2,3; Wang, Yefei1,2 ; An, Liaoyuan1,2 ; Chen, Jingfei1,2 ; Yao, Lishan1,2
	2018-03-07
发表期刊	JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
ISSN	0002-7863
卷号	140 期号:9 页码:3194-3197
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.
文章类型	Article
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.1021/jacs.7b13345
关键词[WOS]	HYDROGEN-BONDS ; SCALAR COUPLINGS ; TEMPERATURE-DEPENDENCE ; DIPOLAR COUPLINGS ; METHYL ; CONSTANTS ; SPECTROSCOPY ; (3H)J(NC') ; ENERGETICS ; COMPLEXES
收录类别	SCI
语种	英语
WOS研究方向	Chemistry
项目资助者	National Key R&D Program of China(2017YFA0505400) ; National Natural Science Foundation of China(31661143036 ; 31600051)
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000427203600006
出版者	AMER CHEMICAL SOC
引用统计
文献类型	期刊论文
条目标识符	http://ir.qibebt.ac.cn/handle/337004/10686
专题	蛋白质设计研究组
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.