Structural reconstruction of the catalytic center of LiPDF through multiple scattering calculation with MXAN
文献类型：期刊论文
| 作者 | Guo XY(郭小云); Chu WS(储旺盛) ; Ma, Sixuan; Hu TD(胡天斗); Xie YN(谢亚宁); Wu ZY(吴自玉); Guo, XY; Chu, WS; Ma, SX; Gong, WM
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| 刊名 | RADIATION PHYSICS AND CHEMISTRY
 |
| 出版日期 | 2006 |
| 卷号 | 75期号:11页码:1617-1621 |
| 关键词 | XANES bioXAS |
| 通讯作者 | Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China ; Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy ; Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China ; Univ Sci & Technol China, Sch Life Sci, Key Lab Struct Biol, Hefei 230026, Anhui, Peoples R China ; Chinese Acad Sci, Inst Biophys, Natl Lab Biomacromol, Beijing 100101, Peoples R China |
| 英文摘要 | Peptide deformylase (PDF, EC 3.5.1.27) is essential for the normal growth of eubacterium but not for mammalians. Recently, PDF has been studied as a target for new antibiotics. In this paper, X-ray absorption spectroscopy was employed to determine the local structure around the zinc ion of PDF from Leptospira Interrogans in dry powder, because it is very difficult to obtain the crystallized sample of LiPDF. We performed X-ray absorption near edge structure (XANES) calculation and reconstructed successfully the local geometry of the active center, and the results from calculations show that a water molecule (Wat1) has moved towards the zinc ion and lies in the distance range to coordinate with the zinc ion weakly. In addition, the sensitivity of theoretical spectra to the different ligand bodies was evaluated in terms of goodness-of-fit. (c) 2006 Elsevier Ltd. All rights reserved. |
| 学科主题 | Chemistry; Nuclear Science & Technology; Physics |
| 类目[WOS] | Chemistry, Physical ; Nuclear Science & Technology ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Nuclear Science & Technology ; Physics |
| 原文出处 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000242185600035 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/239434]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Guo XY,Chu WS,Ma, Sixuan,et al. Structural reconstruction of the catalytic center of LiPDF through multiple scattering calculation with MXAN[J]. RADIATION PHYSICS AND CHEMISTRY,2006,75(11):1617-1621. |
| APA | 郭小云.,储旺盛.,Ma, Sixuan.,胡天斗.,谢亚宁.,...&Wu, ZY.(2006).Structural reconstruction of the catalytic center of LiPDF through multiple scattering calculation with MXAN.RADIATION PHYSICS AND CHEMISTRY,75(11),1617-1621. |
| MLA | 郭小云,et al."Structural reconstruction of the catalytic center of LiPDF through multiple scattering calculation with MXAN".RADIATION PHYSICS AND CHEMISTRY 75.11(2006):1617-1621. |
入库方式： OAI收割
来源：高能物理研究所
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