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Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR
Li, Jingwen1,2,3; Wang, Yefei1,2; An, Liaoyuan1,2; Chen, Jingfei1,2; Yao, Lishan1,2
2018-03-07
Source PublicationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
ISSN0002-7863
Volume140Issue:9Pages:3194-3197
Abstractvan 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.
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1021/jacs.7b13345
WOS KeywordHYDROGEN-BONDS ; SCALAR COUPLINGS ; TEMPERATURE-DEPENDENCE ; DIPOLAR COUPLINGS ; METHYL ; CONSTANTS ; SPECTROSCOPY ; (3H)J(NC') ; ENERGETICS ; COMPLEXES
Indexed BySCI
Language英语
WOS Research AreaChemistry
Funding OrganizationNational Key R&D Program of China(2017YFA0505400) ; National Natural Science Foundation of China(31661143036 ; 31600051)
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000427203600006
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.qibebt.ac.cn/handle/337004/10686
Collection蛋白质设计研究组
Corresponding AuthorYao, Lishan
Affiliation1.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
Recommended Citation
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.
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