Molecular Docking of Xylitol and Xylose Isomerase from Thermus thermophilus and Model Analysis

Chem. J. Chinese Universities

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Molecular Docking of Xylitol and Xylose Isomerase from Thermus thermophilus and Model Analysis

XU Wei^1,2, CAI Ping¹, YAN Ming¹*, XU Lin¹, OUYANG Ping-Kai¹

1. College of Life Science and Pharmacy, Nanjing University of Technology, Nanjing 210009, China;
2. Department of Chemical and Biological Engineering, Yancheng Institute of Technology, Yancheng 224003, China

Received:2006-06-05 Revised:1900-01-01 Online:2007-05-10 Published:2007-05-10
Contact: YAN Ming

Abstract

Abstract: Xylose isomerase from Thermus thermophilus is widely used in the production of high-fructose corn syrup and the construction of xylose via recombinant strains. In this paper, the positions of Mg ions and xylitol in 1BXB were established by structure analysis, molecular docking and computing. The Complex of 1BXB with xylitol was modeled and analyzed. Comparing the structure of 1BXB complex with 1S5N, it was found that the overall structure of them showed a high similarity. The residues around xylitol were highly conserved in xylose isomerase, and the orientation and positions of xylitol were very similar in both structures. The coordination bonds formed between Mg1 and O2 or O4 of xylitol stabilized the conformation of xylitol at the active site of 1BXB.

Key words: Thermus thermophilus, Xylose isomerase, Xylitol, Molecular docking

CLC Number:

O641
Q71

TrendMD:

XU Wei^1,2, CAI Ping¹, YAN Ming¹*, XU Lin¹, OUYANG Ping-Kai¹. Molecular Docking of Xylitol and Xylose Isomerase from Thermus thermophilus and Model Analysis[J]. Chem. J. Chinese Universities, doi: .

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Molecular Docking of Xylitol and Xylose Isomerase from Thermus thermophilus and Model Analysis

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