Metagenome analysis for the classification of enzymes related to hydrolysis of bacterial cell wall by sequential and enzymatic analysis

从宏基因组计划测序的基因中筛选出与细菌肽聚糖水解相关的酶，并根据酶在肽聚糖上的催化位点将其分为5类。在这五组基因中，与内肽酶相关的基因在宏基因组数据中出现频率最高。我们估计大约有2,500个蛋白质的三维结构和结合位点可以预测。此外，为了准确预测结合位点，还对溶菌酶与内肽酶ALE-1的结合进行了模拟。结果表明，溶菌酶和ALE-1中分别有24个和13个氨基酸残基与肽聚糖相互作用。利用宏基因组数据获得的结构域和结构信息可以预测蛋白质的功能和结合位点。今后，我们将构建能够进行这些分析的分析系统，以设计高效的酶。

The enzymes related to hydrolyze the bacterial peptidoglycan were explored from the genes sequenced by metagenome projects and were classified into the five groups defined by their catalytic sites in peptidoglycan. Among the five groups, the genes related to endopeptidase were most frequently found in the metagenomic data. We estimated that the three-dimensional structure and binding sites of about 2,500 proteins could be predicted. Furthermore, to predict the binding site precisely, the binding simulations between peptidoglycan were performed for lyzozyme and ALE-1, one of the endopeptidase. As results, twenty-four and thirteen amino acid residues were predicted to be interacted with the peptidoglycan in lysozyme and ALE-1, respectively. The protein functions and binding sites could be predicted by using the domain and structural information obtained from metagenomic data. In the future, we would construct the analysis system which could perform these analyses to design highly efficient enzymes.