Faculty of Food Technology and Biotechnology, University of Zagreb, Pierottijeva 6, 10000 Zagreb, Croatia.
J Ind Microbiol Biotechnol. 2013 Jun;40(6):653-9. doi: 10.1007/s10295-013-1252-z. Epub 2013 Mar 16.
Modular biosynthetic clusters are responsible for the synthesis of many important pharmaceutical products. They include polyketide synthases (PKS clusters), non-ribosomal synthetases (NRPS clusters), and mixed clusters (containing both PKS and NRPS modules). The ClustScan database (CSDB) contains highly annotated descriptions of 170 clusters. The database has a hierarchical organization, which allows easy extraction of DNA and protein sequences of polypeptides, modules, and domains as well as an organization of the annotation so as to be able to predict the product chemistry to view it or export it in a standard SMILES format. The recombinant ClustScan database contains information about predicted recombinants between PKS clusters. The recombinants are generated by modeling homologous recombination and are associated with annotation and prediction of product chemistry automatically generated by the model. The database contains over 20,000 recombinants and is a resource for in silico approaches to detecting promising new compounds. Methods are available to construct the corresponding recombinants in the laboratory.
模块化生物合成簇负责合成许多重要的药物产品。它们包括聚酮合酶（PKS 簇）、非核糖体合成酶（NRPS 簇）和混合簇（包含 PKS 和 NRPS 模块）。ClustScan 数据库（CSDB）包含对 170 个簇的高度注释描述。该数据库具有层次结构，允许轻松提取多肽、模块和结构域的 DNA 和蛋白质序列，并组织注释，以便能够预测产物化学，查看它或以标准 SMILES 格式导出它。重组 ClustScan 数据库包含关于 PKS 簇之间预测重组体的信息。重组体通过模拟同源重组生成，并与由模型自动生成的产物化学注释和预测相关联。该数据库包含超过 20,000 个重组体，是用于通过计算方法检测有前途的新化合物的资源。可用于在实验室中构建相应的重组体的方法。
