Structural and functional role of water molecules in bovine pancreatic phospholipase A_2: a data-mining approach

Shankar Prasad Kanaujia; Kanagaraj Sekar

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Structural and functional role of water molecules in bovine pancreatic phospholipase A_2: a data-mining approach

机译：水分子的结构和功能的作用在牛胰脏磷脂酶a₂:数据挖掘方法

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The water molecules in 25 (21 high-resolution and four atomic resolution) crystal structures of bovine pancreatic phospholipase A_2 have been analyzed in order to identify the invariant water molecules and their possible roles. A total of 24 water molecules have been identified that are invariant in all 25 crystal structures examined. These include the catalytic water molecule, which is directly involved in the enzyme mechanism, and the conserved structural water molecule, which stabilizes the extended hydrogen-bonding network of the active site. Furthermore, many other water molecules stabilize the structure, whilst a few have been found to maintain the active-site geometry and provide coordination to the functionally important calcium ion.

机译：25(21个高分辨率和水分子四个原子分辨率)的晶体结构牛胰磷脂酶a₂分析,以确定不变的水分子及其可能的角色。水分子都已确定在所有25个晶体结构不变。这些包括催化水分子是直接参与酶机制,守恒的结构水分子,稳定的氢键网络的活性部位。分子结构稳定,同时一些保持活性部位发现了吗几何和提供协调功能重要的钙离子。

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《Acta crystallographica.Section D. Biological crystallography》 |2009年第1期|74-84|共11页
作者
Shankar Prasad Kanaujia; Kanagaraj Sekar;
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作者单位

Bioinformatics Centre (Centre of Excellence in Structural Biology and Biocomputing), Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560 012, India;

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正文语种英语
中图分类化学;
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Invariant; enzyme mechanism; moleculesBos taurusPhospholipasesdata miningWater Moleculecrystal structurePhospholipases APancreasCalcium Cationbovines;

机译：非变量;酶机制;moleculesBostaurusPhospholipasesdata miningWaterMoleculecrystal structurePhospholipasesAPancreasCalcium Cationbovines;

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1. Oxidized phospholipids and lipoprotein-associated phospholipase A_2 as important determinants of Lp（a） functionality and pathophysiological role [J] . Alexandros D.Tselepis 生物医学研究杂志：英文版 . 2018,第001期
2. Oxidized phospholipids and lipoprotein-associated phospholipase A2 as important determinants of Lp(a) functionality and pathophysiological role [J] . Alexandros D.Tselepis 生物医学研究杂志（英文版） . 2018,第001期
3. Functional role of catalytic triad and oxyanion hole-forming residues on enzyme activity of Escherichia coli thioesterase I/protease I/phospholipase L-1 [O] . Lee, L.C., Lee, Y.L., Leu, R.J., 2014

机译：Functional role of catalytic triad and oxyanion hole-forming residues on enzyme activity of Escherichia coli thioesterase I/protease I/phospholipase L-1

Structural and functional role of water molecules in bovine pancreatic phospholipase A_2: a data-mining approach

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