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细菌几丁质酶的计算机模拟表征:揭示其与古细菌和真核生物同类物的关系

In silico characterization of bacterial chitinase: illuminating its relationship with archaeal and eukaryotic cousins.

作者信息

Dutta Bhramar, Deska Jan, Bandopadhyay Rajib, Shamekh Salem

机构信息

Juva Truffle Center, Huttulantie 1C, Juva, Finland.

Department of Botany, The University of Burdwan, Golapbag, Purba Bardhaman, West Bengal 713104, India.

出版信息

J Genet Eng Biotechnol. 2021 Jan 25;19(1):19. doi: 10.1186/s43141-021-00121-6.

DOI:10.1186/s43141-021-00121-6
PMID:33495874
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7835276/
Abstract

BACKGROUND

Chitin is one of the most abundant biopolymers on Earth, only trailing second after cellulose. The enzyme chitinase is responsible for the degradation of chitin. Chitinases are found to be produced by wide range of organisms ranging from archaea to higher plants. Though chitin is a major component of fungal cell walls and invertebrate exoskeletons, bacterial chitinase can be industrially generated at low cost, in facile downstream processes at high production rate. Microbial chitinases are more stable, active, and economically practicable compared to the plant- and animal-derived enzymes.

RESULTS

In the present study, computationally obtained results showed functional characteristics of chitinase with particular emphasis on bacterial chitinase which is fulfilling all the required qualities needed for commercial production. Sixty-two chitinase sequences from four different groups of organisms were collected from the RCSB Protein Data Bank. Considering one suitable exemplary sequence from each group is being compared with others. Primary, secondary, and tertiary structures are determined by in silico models. Different physical parameters, viz., pI, molecular weight, instability index, aliphatic index, GRAVY, and presence of functional motifs, are determined, and a phylogenetic tree has been constructed to elucidate relationships with other groups of organisms.

CONCLUSIONS

This study provides novel insights into distribution of chitinase among four groups and their characterization. The results represent valuable information toward bacterial chitinase in terms of the catalytic properties and structural features, can be exploited to produce a range of chitin-derived products.

摘要

背景

几丁质是地球上最丰富的生物聚合物之一,仅次于纤维素,位居第二。几丁质酶负责几丁质的降解。人们发现,从古细菌到高等植物等多种生物都能产生几丁质酶。尽管几丁质是真菌细胞壁和无脊椎动物外骨骼的主要成分,但细菌几丁质酶可以通过低成本、简便的下游工艺以高生产率进行工业生产。与植物和动物来源的酶相比,微生物几丁质酶更稳定、活性更高且在经济上更可行。

结果

在本研究中,通过计算获得的结果显示了几丁质酶的功能特性,特别强调了满足商业生产所需所有品质的细菌几丁质酶。从RCSB蛋白质数据库中收集了来自四类不同生物的62个几丁质酶序列。考虑将每组中的一个合适的示例性序列与其他序列进行比较。通过计算机模拟模型确定一级、二级和三级结构。确定了不同的物理参数,即等电点、分子量、不稳定指数、脂肪族指数、亲水性总平均值以及功能基序的存在情况,并构建了系统发育树以阐明与其他生物类群的关系。

结论

本研究为几丁质酶在四类生物中的分布及其特征提供了新的见解。这些结果在催化特性和结构特征方面为细菌几丁质酶提供了有价值的信息,可用于生产一系列几丁质衍生产品。

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