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Design of carbonic anhydrase with improved thermostability for CO2 capture via molecular simulations
Journal of CO2 Utilization ( IF 7.7 ) Pub Date : 2020-01-28 , DOI: 10.1016/j.jcou.2020.01.017
Shenglan Wu , Jinrui Chen , Liang Ma , Kai Zhang , Xiaoxiao Wang , Yuping Wei , Jian Xu , Xia Xu

Chemical absorption of CO2 is the most widely used method to capture CO2. However, high cost and slow CO2 absorption rate severely hinder its commercial utilization. Human carbonic anhydrase II (hCA II) having rapid hydratase reaction rate can potentially overcome these obstacles but being highly unstable against harsh process conditions. To enhance thermostability, a novel CA was developed based on molecular simulations. Substituting residue Leu204 with Lys has a comparable hydratase activity as the wild type (WT) hCA II, 1.98 × 106 s−1 for kcat and 2.36 × 108 M−1s−1 for kcat/Km. Importantly, the replacement of L204 K results in higher temperature resistance with 100 % retention at 45 °C and around 50 % at 55 °C while WT totally inactivates at 45 °C. Furthermore, L204 K is able to maintain its activity in the presence of anions and EDTA. The robustness and efficiency of this novel CA make it a competitive candidate for CO2 capture.



中文翻译:

通过分子模拟设计具有改善的热稳定性的碳酸酐酶以捕获CO 2

化学吸收CO 2是捕获CO 2的最广泛使用的方法。然而,高成本和缓慢的CO 2吸收速率严重阻碍了其商业应用。具有快速水合酶反应速率的人碳酸酐酶II(hCA II)可以潜在地克服这些障碍,但在恶劣的工艺条件下高度不稳定。为了提高热稳定性,基于分子模拟开发了新型CA。代残基Leu204用Lys具有可比水合酶活性与野生型(WT)HCA II,1.98×10 6小号-1对于k和2.36×10 8中号-1小号-1对于k/ K。重要的是,替换L204 K会导致更高的耐温性,在45°C时100%保留,在55°C时约50%,而WT在45°C时完全失活。此外,L204 K能够在阴离子和EDTA存在下保持其活性。这种新型CA的鲁棒性和效率使其成为CO 2捕集的竞争者。

更新日期:2020-01-30
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