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首页> 外文期刊>The protein journal >Insight of endo-1,4-xylanase II from trichoderma reesei: Conserved water-mediated H-bond and ion pairs interactions
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Insight of endo-1,4-xylanase II from trichoderma reesei: Conserved water-mediated H-bond and ion pairs interactions

机译：里氏木霉内切1,4-木聚糖酶II的见解：保守的水介导的H键和离子对相互作用

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摘要

Endo-1,4-Xylanase II is an enzyme which degrades the linear polysaccharide beta-1,4-xylan into xylose. This enzyme shows highest enzyme activity around 55 C, even without being stabilized by the disulphide bridges. A set of nine high resolution crystal structures of Xylanase II (1.11-1.80 ?) from Trichoderma reesei were selected and analyzed in order to identify the invariant water molecules, ion pairs and water-mediated ionic interactions. The crystal structure (PDB-id: 2DFB) solved at highest resolution (1.11 ?) was chosen as the reference and the remaining structures were treated as mobile molecules. These structures were then superimposed with the reference molecule to observe the invariant water molecules using 3-dimensional structural superposition server. A total of 37 water molecules were identified to be invariant molecules in all the crystal structures, of which 26 invariant molecules have hydrogen bond interactions with the back bone of residues and 21 invariant water molecules have interactions with side chain residues. The structural and functional roles of these water molecules and ion pairs have been discussed. The results show that the invariant water molecules and ion pairs may be involved in maintaining the structural architecture, dynamics and function of the Endo-1,4-Xylanase II.
机译：Endo-1,4-木聚糖酶II是将线性多糖β-1,4-木聚糖降解为木糖的酶。即使没有被二硫键稳定，该酶在55℃附近仍显示出最高的酶活性。选择并分析了一组来自里氏木霉的木聚糖酶II（1.11-1.80？）的九种高分辨率晶体结构，以鉴定不变的水分子，离子对和水介导的离子相互作用。选择在最高分辨率（1.11Ω）下溶解的晶体结构（PDB-id：2DFB）作为参比，并将其余结构作为可动分子处理。然后使用3维结构叠加服务器将这些结构与参考分子叠加以观察不变水分子。在所有晶体结构中总共鉴定出37个水分子为不变分子，其中26个不变分子与残基的背面具有氢键相互作用，而21个不变水分子与侧链残基具有相互作用。已经讨论了这些水分子和离子对的结构和功能作用。结果表明，不变的水分子和离子对可能参与维持Endo-1,4-木聚糖酶II的结构，动力学和功能。

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