The Electronic Structure of the Fe_4S_4~(3+) Cluster in Proteins: The Importance of Double Exchange Parameter

Moshe Belinskii; Ivano Bertini; Oleg Galas; Claudio Luchinat

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The Electronic Structure of the Fe_4S_4~(3+) Cluster in Proteins: The Importance of Double Exchange Parameter

机译：蛋白质中Fe_4S_4〜（3+）团簇的电子结构：双交换参数的重要性

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The recently obtained Moessbauer and EPR parameters of the Fe_4S_4~(3+) polymetallic center in the High Potential Iron-Sulfur Protein (HiPIP) II from E. halophila have been reproduced with models based on pure Heisenberg exchange. The role of double exchange versus J-inequivalence is discussed. An evaluation of the upper limit of the double exchange parameter in the Fe_4S_4~(3+) bimetallic center is also presented. The present calculations shed further light on the electronic structure of the Fe_4S_4~(3+) center.

机译：利用基于纯海森堡交换的模型，再现了嗜盐大肠杆菌中的高电位铁硫蛋白（HiPIP）II中Fe_4S_4〜（3+）多金属中心最近获得的Moessbauer和EPR参数。讨论了双重交换与J不等式的作用。还提出了Fe_4S_4〜（3+）双金属中心双交换参数上限的评价。目前的计算进一步揭示了Fe_4S_4〜（3+）中心的电子结构。

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来源
《Zeitschrift fur Naturforschung. A, A journal of physical sciences》 |1995年第1期|p.75-80|共6页
作者
Moshe Belinskii; Ivano Bertini; Oleg Galas; Claudio Luchinat;
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作者单位

School of Chemistry, Sackler Faculty of Exact Sciences, Tel Aviv University, Ramat Aviv 69978 Tel Aviv, Israel;

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原文格式 PDF
正文语种 eng
中图分类物理学;
关键词
heisenberg exchange; double exchange; iron-sulfur proteins;

机译：海森堡交换;二次交换;铁硫蛋白;

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The Electronic Structure of the Fe_4S_4~(3+) Cluster in Proteins: The Importance of Double Exchange Parameter

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