QM/MM studies on the calcium-assisted β-elimination mechanism of pectate lyase from bacillus subtilis.
Proteins. 2016 Nov;84(11):1606-1615. doi:10.1002/prot.25103. Epub 2016 Aug 02
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摘要
of Ada2, respectively, which facilitate the proton abstraction and stabilize the generated carbanion intermediates. Arg284 is not the potential proton donor to saturate the leaving group. Actually, the proton source of leaving group is the solvent water molecule rather than any active site acidic residues. In addition, the calculation results suggest that careful selections of QM- and Active-regions are essential to accurately explore the enzymatic reactions. Proteins 2016; 84:1606-1615. © 2016 Wiley Periodicals, Inc.
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基因功能
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原始数据
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文献解读
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