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

文献类型：期刊论文

作者Li, Jingwen1,2,3; Wang, Yefei1,2; An, Liaoyuan1,2; Chen, Jingfei1,2; Yao, Lishan1,2
刊名JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
出版日期2018-03-07
卷号140期号:9页码:3194-3197
ISSN号0002-7863
DOI10.1021/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
WOS记录号WOS:000427203600006
出版者AMER CHEMICAL SOC
资助机构National Key R&D Program of China(2017YFA0505400) ; National Natural Science Foundation of China(31661143036 ; 31600051)
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.

入库方式： OAI收割

来源：青岛生物能源与过程研究所

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