中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页 机构 成果 学者
  
  1. CAS IR Grid
  2. 武汉物理与数学研究所
  3. 中国科学院武汉物理与数学研究所
  4. 2011年以前论文发表（包括2011年）
pH value dependent conformation of ATP studied by chemical shift calculation

文献类型：期刊论文

作者Jiang, L; Mao, XA
刊名ACTA PHYSICO-CHIMICA SINICA
出版日期2002-09-01
卷号18期号:9页码:796-801
关键词chemical shift ring current ATP (adenosine 5 '-triphosphate) [ATP-Mg2+] complex pH
英文摘要The chemical shifts induced by the ring current was calculated for H1' and H2' of ATP with different torsion angle chi (O4' - C1' - N9 - C4) based on the method of Johnson and Bovey. The chemical shift of H1' showed relatively strong dependence on the X angle, which reflected fine conformation changes with pH. By comparing the calculated results with the experimental data, it is shown that in the pH range Q - 10) studied in this paper and in the presence of Mg2+, the torsion angle chi of ATP varies in the small range from 230degrees to 360degrees. As the pH of the solution is decreased, the conformation of the ATP molecule changes from trans to cis through -gauche form. At lower pH, the ATP molecule is more likely to take the cis conformation, while at higher pH, the trans conformation is more stable. This supports the conclusion that N1 binds the metal ion at lower pH while the binding site becomes N7 when pH is neutral. In the discussion, the change of the ring current strength induced by pH variation was also taken into account.
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical
研究领域[WOS]Chemistry
关键词[WOS]NUCLEIC-ACIDS ; BINDING-SITE ; NMR ; PROTEINS ; SECONDARY
收录类别SCI
语种英语
WOS记录号WOS:000178107400006
公开日期2015-12-08
源URL[http://ir.wipm.ac.cn/handle/112942/8740]  
专题武汉物理与数学研究所_2011年以前论文发表（包括2011年）
作者单位Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
推荐引用方式
GB/T 7714		 Jiang, L,Mao, XA. pH value dependent conformation of ATP studied by chemical shift calculation[J]. ACTA PHYSICO-CHIMICA SINICA,2002,18(9):796-801.
APA Jiang, L,&Mao, XA.(2002).pH value dependent conformation of ATP studied by chemical shift calculation.ACTA PHYSICO-CHIMICA SINICA,18(9),796-801.
MLA Jiang, L,et al."pH value dependent conformation of ATP studied by chemical shift calculation".ACTA PHYSICO-CHIMICA SINICA 18.9(2002):796-801.

入库方式： OAI收割

来源：武汉物理与数学研究所

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。