In Silico Analysis of Phylogeny, Structure, and Function of Flavohemoproteins from Metagenomic Data

IF 0.5 4区 生物学 Q4 BIOLOGY Biology Bulletin Pub Date : 2024-05-31 DOI:10.1134/s1062359023604391
Jaspreet Kaur
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Abstract

In this study, flavohemoproteins from protist, bacterial and fungal sources as well those available in metagenome data have been characterized using standard bioinformatics tools in order to study their phylogenetic relationships, three-dimensional structure and functional parameters. 5 clusters of metagenomic proteins were identified which showed the closest neighbors with known genera. The average length of flavohemoprotein in the data set was found to be 414 residues. The average pI and molecular weight (MW) was 6.72 and 47.28 kDa respectively in all strains including metagenome sequences. Flavohemoproteins showed similar amino acid composition among different organisms including proteins from metagenomic data and from known genera, with relative higher abundance of amino acids Ala and Leu. The secondary structure prediction results revealed that the enzymes are dominated by α-helices and random coils. Tertiary structure analysis revealed the presence of three ligand binding sites for Heme, FAD and NAD. The computational analysis of flavohemoproteins from metagenomic data done in this study can provide useful sequence and structural information which can be further used for metaproteomic analysis in search for novel flavohemoprotein enzymes from the environment.

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从元基因组数据中对黄化蛋白的系统发育、结构和功能进行硅学分析
摘要 本研究使用标准生物信息学工具,对来自原生动物、细菌和真菌以及元基因组数据中的黄化蛋白进行了表征,以研究它们的系统发育关系、三维结构和功能参数。共鉴定出 5 个元基因组蛋白质簇,这些蛋白质簇与已知菌属的关系最为密切。数据集中的黄血蛋白平均长度为 414 个残基。包括元基因组序列在内的所有菌株的平均 pI 和分子量(MW)分别为 6.72 和 47.28 kDa。不同生物体(包括元基因组数据中的蛋白质和已知种属中的蛋白质)的黄素化蛋白质显示出相似的氨基酸组成,氨基酸Ala和Leu的含量相对较高。二级结构预测结果显示,酶主要由α-螺旋和随机线圈组成。三级结构分析表明,存在血红素、FAD 和 NAD 三个配体结合位点。本研究从元基因组数据中对黄血蛋白进行的计算分析可提供有用的序列和结构信息,这些信息可进一步用于元蛋白组分析,从环境中寻找新型黄血蛋白酶。
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来源期刊
Biology Bulletin
Biology Bulletin 生物-生物学
CiteScore
0.70
自引率
20.00%
发文量
84
审稿时长
4-8 weeks
期刊介绍: Biology Bulletin (Izvestiya Rossiiskoi Akademii Nauk – Seriya Biologicheskaya) is an interdisciplinary journal of general biology. It focuses on fundamental studies in the fields of cell biology, biochemistry, zoology, botany, physiology, and ecology. This journal publishes current materials of experimental studies and surveys on current problems in general biology. It also publishes information on scientific conferences and new books in the fields of general biology.
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