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Studies on the mechanism of the catalytic superoxide decomposition by the nickel-based superoxide dismutase employing functional peptide-based model compounds

利用功能性肽模型化合物研究镍基超氧化物歧化酶催化超氧化物分解的机制

基本信息

批准号：
243977495
负责人：
Professor Dr. Gerd Buntkowsky
金额：
--
依托单位：
Fachgebiet Physikalische Chemie
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2013
资助国家：
德国
起止时间：
2012-12-31 至 2016-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/243977495?language=en
关键词：
Studies mechanism catalytic superoxide decomposition

项目摘要

The aim of the proposal is the investigation of the catalytic mechanism of Nickel superoxide dismutase (NiSOD) through the study of small peptide based model compounds by a combination of liquid-state and solid-state nuclear magnetic resonance spectroscopy, kinetic measurements and theoretical calculations. In preliminary works we were able to produce a stable structural model complex, where cyanide coordinates as substrate analogue in the active center of the NiSOD model peptides and to determine the structure of the cyanide adduct. The first focus of the project is the study to what extent specific mutations of these model peptides influence the catalytic activity or the position of the substrate analogue in the active site of the NiSOD model peptides. In contrast to the model peptides, which are trans-configured, the natural enzyme is in a cis- configuration. Therefore the second focus of the project is to study the effect of the trans/cis configuration on the catalytic activity of the models and the binding of cyanide as substrate analogue. The third part of the project studies the role and binding of functional water molecules in the active site of the model peptides. This is intended to clarify whether there are similarities to the catalytic behavior of other SOD classes.

该提案的目的是通过结合液态和固态核磁共振光谱、动力学测量和理论计算研究基于小肽的模型化合物来调查镍超氧化物歧化酶（NiSOD）的催化机制。在初步工作中，我们能够产生一个稳定的结构模型复合物，其中氰化物作为底物类似物在NiSOD模型肽的活性中心的坐标，并确定氰化物加合物的结构。该项目的第一个重点是研究这些模型肽的特定突变在多大程度上影响NiSOD模型肽活性位点中底物类似物的催化活性或位置。与反式构型的模型肽相反，天然酶呈顺式构型。因此，该项目的第二个重点是研究反式/顺式构型对模型的催化活性和氰化物作为底物类似物的结合的影响。项目的第三部分研究了功能性水分子在模型肽活性位点中的作用和结合。这是为了澄清是否有类似的催化行为的其他SOD类。

项目成果

期刊论文数量（3）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

NiII Complex Formation and Protonation States at the Active Site of a Nickel Superoxide Dismutase-Derived Metallopeptide: Implications for the Mechanism of Superoxide Degradation.

镍超氧化物歧化酶衍生金属肽活性位点的 NiIII 络合物形成和质子化状态：对超氧化物降解机制的影响

DOI：
10.1002/chem.201803042
发表时间：
2018
期刊：
Chemistry
影响因子：
0
作者：
Tietze;Daniel;Koley Seth;Banabithi;Brauser;Matthias;Tietze;Alesia A;Buntkowsky
通讯作者：
Buntkowsky

NMR Crystallography as a Novel Tool for the Understanding of the Mode of Action of Enzymes: SOD a Case Study

NMR 晶体学作为了解酶作用模式的新工具：SOD 案例研究