中文摘要：

Thermus thermophilus木糖异构酶在高呆糖浆的工业生产及木糖发酵重组菌的构建方面具有极其广阔的应用前景．本文主要运用结构分析和分子对接及计算软件，确定mg^2及木糖异构酶天然底物D-木糖在1BXB晶体结构中的定位，构建出1BXB复合物模型并进行评价与分析．通过刈1BXB复合物模型1与1XIC的结构进行比较，发现所构建模型中D-木糖周围的残基在木糖异构酶中高度保守，并且D-木糖的定位与取向与1XIC中底物分子基本一致。

英文摘要：

Xylose isomerase from Thermus thermophilus is widely used in the production of high-fructose corn syrup and the construction of xylose utilizing recombinant strains. In this paper, the positions of Mg ions and D-xylose in 1 BXB were established by structure analysis, molecular docking and computing. The Complex of 1BXB with D-Xylose was modeled and analyzed. Comparison structure of 1 BXB complex and 1XIC, we found that the overall structure of them showed high similarity. The residues around D-xylose were highly conserved in xylose isomerase, and the orientation and positions of D-xylose were very similar in both structures. This suggests they have similar function and close genetic relationship.