TETRACHLOROHYDROQUINONE DEHALOGENASE

这一研究方案涉及到对AN机制的确定。 四氯对苯二酚(TCHQ)脱卤酶。这种酶扮演着一种 在生物降解五氯苯酚中的关键作用 两个连续还原脱卤化反应取代两个氯 用氢气。该反应包括谷胱甘肽结合步骤，该步骤 是谷胱甘肽S转移酶机制中必不可少的一步 (GSTS)。GST是存在于许多生物体中的非常重要的酶 排毒过程。TCHQ脱卤酶具有一定的序列同一性和 与GST的机械相似之处。这项工作的具体目的是 确定TCHQ脱卤酶是否完成了对氯的去除 从三氯甲烷通过初始互变异构化进行S/N/2反应， 或通过亲核芳香族取代反应 在GST的芳香族共轭反应中常见。 TCHQ脱卤酶将通过实验和理论来确定 技巧。实验和理论技术的使用是 对全面了解TCHQ的机制很重要 脱卤酶及其与GSTs的机制有多相似。

This research proposal involves the determination of the mechanism of an enzyme, tetrachlorohydroquinone (TCHQ) dehalogenase. The enzyme plays a critical role in the biodegradation of pentachlorophenol, by performing two successive reductive dehalogenation reaction replacing two chlorines with hydrogens. The reaction includes a glutathione conjugation step which is an essential step in the mechanism of glutathione S-transferases (GSTs). GSTs are very important enzymes present in many organisms for detoxification processes. TCHQ dehalogenase has some sequence identity and mechanistic similarities to GSTs. The specific aim of this work is to determine whether TCHQ dehalogenase accomplishes the removal of a chlorine from TCHQ via an initial tautomerization to follow for an S/N/2 reaction, or via a nucleophilic aromatic substitution reaction such as those commonly found in aromatic conjugation reactions of GSTs.The mechanism of TCHQ dehalogenase will be determined by experimental and theoretical techniques. The use of both experimental and theoretical techniques is important to the overall understanding of the mechanism of TCHQ dehalogenase and how similar its mechanism is to that of GSTs.