物理化学学报 >> 2011, Vol. 27 >> Issue (03): 539-546.doi: 10.3866/PKU.WHXB20110326

热力学，动力学和结构化学 上一篇    下一篇

钒卤代过氧化物酶构象模型分子的设计、合成及仿生催化活性

曹运珠1, 魏东明1, 任冬雪1, 陈晨1, 邢永恒1, 施展2   

  1. 1. 辽宁师范大学化学化工学院, 辽宁 大连 116029;
    2. 吉林大学化学学院, 无机合成与制备化学国家重点实验室, 长春 130012
  • 收稿日期:2010-10-20 修回日期:2011-01-07 发布日期:2011-03-03
  • 通讯作者: 邢永恒 E-mail:yhxing2000@yahoo.com
  • 基金资助:

    国家自然科学基金(21071071), 大连市教育基金(2009J21DW004)及吉林大学无机合成与制备化学国家重点实验室(2010-15)资助

Design, Synthesis and Mimic Catalytic Activity of a Vanadium Haloperoxidase Conformation Model Molecule

CAO Yun-Zhu1, WEI Dong-Ming1, REN Dong-Xue1, CHEN Chen1, XING Yong-Heng1, SHI Zhan2   

  1. 1. College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, Liaoning Province, P. R. China;
    2. State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012, P. R. China
  • Received:2010-10-20 Revised:2011-01-07 Published:2011-03-03
  • Contact: XING Yong-Heng E-mail:yhxing2000@yahoo.com
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (21071071), Education Foundation of Dalian City, China (2009J21DW004), and State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, China (2010-15).

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摘要：

基于钒卤代过氧化物酶(V-HPOs)活性中心的N、O配位环境及活性中心与氨基酸残基、水分子之间的氢键作用的模拟, 我们设计、合成了两种钒氧配合物: (C3H5N2)2[(VO)2(μ2-C2O4)(C2O4)2(H2O)2] (1)和(VO2)2(μ2- C2O4)(C2H4N2)2 (2), 并通过X射线单晶衍射方法确定了它们的结构. 晶体结构分析表明上述钒氧配合物的配位环境与(V-HPOs)活性中心十分相似, 且在配合物的三维堆积结构中具有类α-螺旋结构. 溴化反应活性研究发现这些钒氧配合物在仿生催化实验中表现出较高的催化活性.

关键词: 钒卤代过氧化物酶, 钒氧配合物, 晶体结构, α-螺旋, 分子构象

Abstract:

Based on mimicing the N, O coordination environment of the active center of vanadium haloperoxidase (V-HPOs) and the hydrogen-bond interaction between the active center and amino acid residues or water molecules, we designed and synthesized two kinds of oxidovanadium complexes: (C3H5N2)2[(VO)2(μ2-C2O4)(C2O4)2(H2O)2] (1) and (VO2)2(μ2- C2O4)(C2H4N2)2 (2). We determined their structures by X-ray single crystal diffraction. The crystal structure analysis indicated that the coordination environments of those oxidovanadium complexes were similar to the active center of vanadium haloperoxidase, and there seemed to be a mimicing α-helix structure in the three-dimensional packing structure of the complexes. Additionally, by studying the bromination reaction activity we found that the oxidovanadium complexes had an upper activity during the mimic catalytic process.

Key words: Vanadium haloperoxidase, Oxidovanadium complex, Crystal structure, α-Helix, Molecule conformation

MSC2000: 

  • O641