Protein Apparent Dielectric Constant and Its Temperature Dependence from Remote Chemical Shift Effects

doi:10.1021/ja505852b

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	Protein Apparent Dielectric Constant and Its Temperature Dependence from Remote Chemical Shift Effects
	An, Liaoyuan 1; Wang, Yefei 1; Zhang, Ning 1; Yan, Shihai 2; Bax, Ad 3; Yao, Lishan 1
	2014-09-17
发表期刊	JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷号	136 期号:37 页码:12816-12819
摘要	A NMR protocol is introduced that permits accurate measurement of minute, remote chemical shift perturbations (CSPs), caused by a mutation-induced change in the electric field. Using protein GB3 as a model system, H-1(N) CSPs in K19A and K19E mutants can be fitted to small changes in the electric field at distal sites in the protein using the Buckingham equation, yielding an apparent dielectric constant epsilon(a) of 8.6 +/- 0.8 at 298 K. These CSPs, and their derived epsilon(a) value, scale strongly with temperature. For example, CSPs at 313 K are about similar to 30% smaller than those at 278 K, corresponding to an effective epsilon(a) value of about 7.3 at 278 K and 10.5 at 313 K. Molecular dynamics simulations in explicit solvent indicate that solvent water makes a significant contribution to epsilon(a).
文章类型	Article
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.1021/ja505852b
关键词[WOS]	NUCLEAR-MAGNETIC-RESONANCE ; ELECTRIC-FIELDS ; ACTIVE-SITE ; SHIELDING POLARIZABILITIES ; NMR-SPECTROSCOPY ; BINDING DOMAIN ; WATER ; PEPTIDES ; POLAR ; SENSITIVITY
收录类别	SCI
语种	英语
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000342119700004
引用统计
文献类型	期刊论文
条目标识符	http://ir.qibebt.ac.cn/handle/337004/6238
专题	蛋白质设计研究组
作者单位	1.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Lab Biofuels, Qingdao 266101, Peoples R China 2.Qingdao Agr Univ, Coll Chem & Pharmaceut Sci, Qingdao 266109, Peoples R China 3.NIDDK, Chem Phys Lab, NIH, Bethesda, MD 20892 USA
推荐引用方式 GB/T 7714	An, Liaoyuan,Wang, Yefei,Zhang, Ning,et al. Protein Apparent Dielectric Constant and Its Temperature Dependence from Remote Chemical Shift Effects[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2014,136(37):12816-12819.
APA	An, Liaoyuan,Wang, Yefei,Zhang, Ning,Yan, Shihai,Bax, Ad,&Yao, Lishan.(2014).Protein Apparent Dielectric Constant and Its Temperature Dependence from Remote Chemical Shift Effects.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,136(37),12816-12819.
MLA	An, Liaoyuan,et al."Protein Apparent Dielectric Constant and Its Temperature Dependence from Remote Chemical Shift Effects".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136.37(2014):12816-12819.