Protein Apparent Dielectric Constant and Its Temperature Dependence from Remote Chemical Shift Effects
文献类型：期刊论文
| 作者 | An, Liaoyuan1; Wang, Yefei1; Zhang, Ning1; Yan, Shihai2; Bax, Ad3; Yao, Lishan1 |
| 刊名 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
 |
| 出版日期 | 2014-09-17 |
| 卷号 | 136期号:37页码:12816-12819 |
| 英文摘要 | 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). |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 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记录号 | WOS:000342119700004 |
| 公开日期 | 2015-12-24 |
| 源URL | [http://ir.qibebt.ac.cn/handle/337004/6238]  |
| 专题 | 青岛生物能源与过程研究所_仿真模拟团队 |
| 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. |
入库方式： OAI收割
来源：青岛生物能源与过程研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。