Analysis of Structure Difference and Molecular Evolution of Xylan 1,4-β-Xylosidase Based on Sequence Alignment
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Abstract:
Xylan 1,4-β-xylosidase (EC 3.2.1.37) is an exohydrolase that has become more widely used in industry in recent years. At present, there has been a relative lack of research on the structure of xylan 1,4-β-xylosidase.In order to analyze the evolutionary relationship and structural differences of xylan 1,4-β-xylosidase, MEGAX10.1.8 was used to compare the multiple sequences of xylan 1,4-β-xylosidase gene sequences and construct a phylogenetic evolutiontree. The analysis of results showed that xylan 1,4-β-xylosidase could be divided into two categories, from which 12 representative sequences were screen and selected for the comparison and alignment of multiple amino acid sequences. Only 15 relatively conserved sites were found, showing non-conservative characteristics. The physicochemical properties and signal peptides of the enzymes corresponding to the 12 sequences were predicted and analyzed by bioinformatics tools. The prediction results showed that all enzymes were hydrophilic, and possessed intracellular and extracellular secretion modes. Modell 9.24 and Phyre2 were used to construct models for the tertiary structure. According to the modeling results, xylan 1,4-β-xylosidase was divided into three representative structures: β-folded barrel, bowl-like structure, and (α/β)8 barrel structure. Molecular docking was used to assist the calculation of the size of the binding pocket, and it was speculated that the size of substrate has a certain degree of effect on the morphology of its characteristic structure. Based on the study of the structural pattern of xylan 1,4-β-xylosidase, point mutations can be precisely designed, blindness can be reduced, and desired physicochemical properties can be obtained, to provide bioinformatics guidance for further research on the modification of xylan 1,4-β-xylosidase, then offers a basis for further study on the relationship between the structure and function of xylan 1,4-β-xylosidase, thereby further broadening the application of xylan 1,4-β-xylosidase in food, medicine and other fields.
