In this study, strictosidine synthase (STR) from Catharanthus roseus that plays an important role in alkaloid biosynthesis was selected. The purpose of this work was to perform in silico analysis and to predict the three-dimensional structure of this protein that is not available. Physicochemical characterization was performed by Expasy’s Protparam server. The computed theoretical isoelectric point (pI) found to be less than 7 indicates the acidic nature of this protein. The aliphatic index 73.04 indicates the thermal stability of the protein. Grand average hydropathy (GRAVY) was predicted to be − 285; this lower value of GRAVY shows the possibility of better interaction of this protein with water. Functional analysis of these proteins was performed by SOSUI server which predicted the transmembrane helix. Secondary structure analysis was carried out by SOPMA that revealed that Alpha helix dominated among secondary structure elements followed by random coil, extended strand, and beta turns. The modeling of the three-dimensional structure of the STR was performed by Swiss model. The model was validated using protein structure checking tools PROCHECK and PROVE. This study reveals in silico analysis by Expasy Protparam server, SOPMA, and SOSUI server. Homology modeling of STR was performed by Swiss model.

中文翻译：

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在计算机分析和同源模型中，对长春花中生物碱的生物合成过程中的芥子酸合酶进行了建模。

在本研究中，选择了从长春花中提取的严格生物碱合成酶（STR），该酶在生物碱生物合成中起重要作用。这项工作的目的是进行计算机分析，并预测该蛋白质无法获得的三维结构。物理化学表征是由Expasy的Protparam服务器进行的。计算得出的理论等电点（pI）小于7，表明该蛋白质具有酸性。脂肪族指数73.04表示蛋白质的热稳定性。预计平均水肿（GRAVY）为285。较低的GRAVY值表明该蛋白质与水更好地相互作用的可能性。通过预测跨膜螺旋的SOSUI服务器对这些蛋白质进行功能分析。SOPMA进行了二级结构分析，结果表明二级结构元素中Alpha螺旋占主导地位，其次是无规卷曲，延伸链和β匝。STR的三维结构建模是由Swiss模型完成的。使用蛋白质结构检查工具PROCHECK和PROVE验证了该模型。这项研究揭示了由Expasy Protparam服务器，SOPMA和SOSUI服务器进行的计算机分析。STR的同源性建模是通过Swiss模型进行的。这项研究揭示了由Expasy Protparam服务器，SOPMA和SOSUI服务器进行的计算机分析。STR的同源性建模是通过Swiss模型进行的。这项研究揭示了由Expasy Protparam服务器，SOPMA和SOSUI服务器进行的计算机分析。STR的同源性建模是通过Swiss模型进行的。