Determination of the Local Atomic Structure of the Active Center of Bromoperoxidase Protein via the Analysis of X-Ray Absorption Spectra

A. V. Kostenko; M. Feiters; A. N. Kravtsova; A. V. Soldatov

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Determination of the Local Atomic Structure of the Active Center of Bromoperoxidase Protein via the Analysis of X-Ray Absorption Spectra

机译：通过X射线吸收光谱分析确定溴过氧化物酶蛋白活性中心的局部原子结构

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摘要

The existing model of the active center of bromoperoxidase protein, which has been obtained via x-ray diffraction methods, is defined more precisely. The processes occurring in the active center of this protein interacting with hydrogen peroxide are studied. It is shown that the existing model of the active center of bromoperoxidase is not sufficiently accurate. To study the adequacy of certain structural parameters of the active center, the atomic structure has been optimized using electron density functional theory. A new model of the active center of bromoperoxidase protein is proposed.

机译：通过x射线衍射方法获得的溴过氧化物酶蛋白活性中心的现有模型可以更精确地定义。研究了这种蛋白质与过氧化氢相互作用的活性中心发生的过程。结果表明，现有的溴过氧化物酶活性中心模型不够精确。为了研究活性中心某些结构参数的适当性，已使用电子密度泛函理论对原子结构进行了优化。提出了一种新的溴过氧化物酶蛋白活性中心模型。

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《Journal of surface investigation: x-ray, synchrotron and neutron techniques》 |2008年第6期|共4页
作者
A. V. Kostenko; M. Feiters; A. N. Kravtsova; A. V. Soldatov;
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正文语种 eng
中图分类原子核物理学、高能物理学;
关键词
model; bromoperoxidase; moperoxidase;

机译：模型;溴过氧化物酶;过氧化物酶;

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1. Determination of the Local Atomic Structure of the Active Center of Bromoperoxidase Protein via the Analysis of X-Ray Absorption Spectra [J] . A. V. Kostenko, M. Feiters, A. N. Kravtsova, Journal of surface investigation: x-ray, synchrotron and neutron techniques . 2008,第6期

机译：通过X射线吸收光谱分析确定溴过氧化物酶蛋白活性中心的局部原子结构
2. Determination of the local atomic structure of material from X-ray absorption spectroscopy data without fourier analysis of experimental spectra [J] . Pryadchenko V. V., Galustov A. D., Srabionyan V. V., Optics and Spectroscopy . 2014,第2期

机译：根据X射线吸收光谱数据确定材料的局部原子结构，而无需对实验光谱进行傅立叶分析
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6. X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy [O] . Alessandro Arcovito, Maurizio Benfatto, Michele Cianci, 2007

机译：使用原位X射线吸收近边缘结构光谱法对具有增强的活性位点分辨率的金属蛋白进行X射线结构分析
7. Effects of Local Atomic Order on the Pre-Edge Structure in the Ti K X-Ray Absorption Spectra of Perovskite CaTi1-xZrxO3 [O] . Krayzman, V., Levin, I., Woicik, J. C., 2006

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8. Correlation beween Wavelength Dispersive X-Ray Fluorescence (WDXRF) Analysis of Hardened Concrete for Chlorides vs. Atomic Absorption (AA) Analysis in Accordance With AASHTO-T-260; Sampling and Testing for Chloride Ion in Concrete and Concrete Raw Materials, Procedure B, Acid-Soluble Chloride Ion Content by Atomic Absorption. [R] . Simonds, K. M. 2014

机译：根据aasHTO-T-260，氯化硬化混凝土的波长色散X射线荧光（WDXRF）分析与原子吸收（aa）分析之间的相关性;混凝土和混凝土原料中氯离子的取样和测试，程序B，原子吸收法测定酸溶性氯离子含量。

Determination of the Local Atomic Structure of the Active Center of Bromoperoxidase Protein via the Analysis of X-Ray Absorption Spectra

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