Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein
文献类型：期刊论文
| 作者 | Li, Jingwen1,2; Wang, Yefei1,2; Chen, Jingfei1,2; Liu, Zhijun3; Bax, Ad4; Yao, Lishan1,2 |
| 刊名 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
 |
| 出版日期 | 2016-02-17 |
| 卷号 | 138期号:6页码:1824-1827 |
| 英文摘要 | The presence and extent of hydrogen-bonding (H-bonding) cooperativity in proteins remains a fundamental question, which in the past has been studied extensively, mostly by infrared and fluorescence measurements on model peptides. We demonstrate that such cooperativity can be studied in an intact protein by hydrogen/deuterium exchange NMR spectroscopy. The method is based on the fact that substitution of NH by ND in a backbone amide group slightly weakens the N-H center dot center dot center dot O=C hydrogen bond. Our results show that such substitution at position i in an alpha-helix impacts the H-1 and N-15 chemical shifts of the amide sites of residues i-3 to i + 3. Quantum mechanical calculations indicate that the upfield shifts of H-1 and N-15 resonances at site i, observed upon H/D exchanges at sites i-3, i + 1, i + 2, and i + 3, correspond to a decrease of the ith backbone amide electric dipole moment, which weakens its H-bonding and long-range electrostatic interactions with other backbone amides in the alpha-helix. These results provide new quantitative insights into the cooperativity of H-bonding in protein a-helices. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | DENSITY-FUNCTIONAL THEORY ; 2D IR SPECTROSCOPY ; FRACTIONATION FACTORS ; SCALAR COUPLINGS ; 3(10)-HELICAL PEPTIDES ; CHEMICAL-SHIFTS ; BETA-SHEETS ; DYNAMICS ; MODELS ; NMR |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000370582900021 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.qibebt.ac.cn/handle/337004/8021]  |
| 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, 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.Chinese Acad Sci, Natl Ctr Prot Sci Shanghai, Shanghai Inst Biol Sci, Inst Biochem & Cell Biol, Shanghai 201210, Peoples R China 4.NIDDK, Chem Phys Lab, NIH, Bethesda, MD 20892 USA |
| 推荐引用方式 GB/T 7714 | Li, Jingwen,Wang, Yefei,Chen, Jingfei,et al. Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2016,138(6):1824-1827. |
| APA | Li, Jingwen,Wang, Yefei,Chen, Jingfei,Liu, Zhijun,Bax, Ad,&Yao, Lishan.(2016).Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,138(6),1824-1827. |
| MLA | Li, Jingwen,et al."Observation of alpha-Helical Hydrogen-Bond Cooperativity in an Intact Protein".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138.6(2016):1824-1827. |
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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