Weber Tilmann, Blin Kai, Duddela Srikanth, Krug Daniel, Kim Hyun Uk, Bruccoleri Robert, Lee Sang Yup, Fischbach Michael A, Müller Rolf, Wohlleben Wolfgang, Breitling Rainer, Takano Eriko, Medema Marnix H
Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Hørsholm, Denmark
Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Hørsholm, Denmark.
Nucleic Acids Res. 2015 Jul 1;43(W1):W237-43. doi: 10.1093/nar/gkv437. Epub 2015 May 6.
Microbial secondary metabolism constitutes a rich source of antibiotics, chemotherapeutics, insecticides and other high-value chemicals. Genome mining of gene clusters that encode the biosynthetic pathways for these metabolites has become a key methodology for novel compound discovery. In 2011, we introduced antiSMASH, a web server and stand-alone tool for the automatic genomic identification and analysis of biosynthetic gene clusters, available at http://antismash.secondarymetabolites.org. Here, we present version 3.0 of antiSMASH, which has undergone major improvements. A full integration of the recently published ClusterFinder algorithm now allows using this probabilistic algorithm to detect putative gene clusters of unknown types. Also, a new dereplication variant of the ClusterBlast module now identifies similarities of identified clusters to any of 1172 clusters with known end products. At the enzyme level, active sites of key biosynthetic enzymes are now pinpointed through a curated pattern-matching procedure and Enzyme Commission numbers are assigned to functionally classify all enzyme-coding genes. Additionally, chemical structure prediction has been improved by incorporating polyketide reduction states. Finally, in order for users to be able to organize and analyze multiple antiSMASH outputs in a private setting, a new XML output module allows offline editing of antiSMASH annotations within the Geneious software.
微生物次级代谢产生了丰富的抗生素、化疗药物、杀虫剂及其他高价值化学品。对编码这些代谢产物生物合成途径的基因簇进行基因组挖掘,已成为发现新化合物的关键方法。2011年,我们推出了antiSMASH,这是一个用于生物合成基因簇自动基因组鉴定和分析的网络服务器及独立工具,可在http://antismash.secondarymetabolites.org获取。在此,我们展示antiSMASH 3.0版本,该版本有了重大改进。最近发布的ClusterFinder算法的全面整合,现在允许使用这种概率算法来检测未知类型的假定基因簇。此外,ClusterBlast模块的一种新的去重复变体现在可识别已鉴定簇与1172个已知终产物簇中任何一个的相似性。在酶水平上,现在通过精心策划的模式匹配程序来确定关键生物合成酶的活性位点,并为所有酶编码基因分配酶委员会编号以进行功能分类。此外,通过纳入聚酮还原状态改进了化学结构预测。最后,为了让用户能够在私密环境中组织和分析多个antiSMASH输出结果,一个新的XML输出模块允许在Geneious软件中对antiSMASH注释进行离线编辑。