Impact of enzyme motion on activity
Impact of enzyme motion on activity
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DOI：
10.1021/bi0267137
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发表时间：
2002-11-12
期刊：
影响因子：
2.9
通讯作者：
Hammes-Schiffer, S
中科院分区：
文献类型：
--
作者：
Hammes-Schiffer, S
实验和理论数据表明，酶的运动在酶促反应中起着重要作用。酶的运动既会影响活化自由能垒，也会影响能垒的再穿越程度。一种混合理论方法已被开发用于研究酶运动和活性之间的关系。这种方法包括电子和核量子效应。它区分了影响活化自由能垒的热平均促进运动和影响能垒再穿越的动态运动。将其应用于肝脏乙醇脱氢酶和二氢叶酸还原酶中的氢化物转移，确定并表征了重要的酶运动。这些应用还促使人们提出了酶促反应中耦合促进运动的网络。这些概念对蛋白质工程和药物设计具有重要意义。
Experimental and theoretical data imply that enzyme motion plays an important role in enzymatic reactions. Enzyme motion can influence both the activation free energy barrier and the degree of barrier recrossing. A hybrid theoretical approach has been developed for the investigation of the relation between enzyme motion and activity. This approach includes both electronic and nuclear quantum effects. It distinguishes between thermally averaged promoting motions that influence the activation free energy barrier and dynamical motions that influence the barrier recrossings. Applications to hydride transfer in liver alcohol dehydrogenase and dihydrofolate reductase resulted in the identification and characterization of important enzyme motions. These applications have also led to the proposal of a network of coupled promoting motions in enzymatic reactions. These concepts have important implications for protein engineering and drug design.