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RiPPMiner-Genome:通过基因组挖掘自动化预测 RiPPs 的交联化学结构的网络资源。

RiPPMiner-Genome: A Web Resource for Automated Prediction of Crosslinked Chemical Structures of RiPPs by Genome Mining.

机构信息

National Institute of Immunology, Aruna Asaf Ali Marg, New Delhi 110067, India.

出版信息

J Mol Biol. 2021 May 28;433(11):166887. doi: 10.1016/j.jmb.2021.166887. Epub 2021 Feb 23.

Abstract

RiPPMiner-Genome is a unique bioinformatics resource for identifying Biosynthetic Gene Clusters (BGC) for RiPPs (Ribosomally Synthesized and Post-translationally Modified Peptides) and automated prediction of crosslinked chemical structures of RiPPs starting from genomic sequences. It is a major update of the RiPPMiner webserver, which used only peptide sequence of RiPP precursors as input for predicting RiPP class and crosslinked chemical structures. Other major improvements are, machine learning (ML) based identification of correct RiPP precursor peptide from among multiple small ORFs (Open Reading Frames) in a BGC, prediction of the cleavage site and cross-links in thiopeptides and identification of non-crosslinked modified residues in lanthipeptides. It has been benchmarked on a dataset of 204 experimentally characterized RiPP BGCs. RiPPMiner-Genome also facilitates visualization of the RiPP BGCs and depiction of the chemical structure of crosslinked RiPP. It also has an interface for searching characterized RiPPs, similar to the predicted core peptide sequence or crosslinked chemical structure.

摘要

RiPPMiner-Genome 是一个独特的生物信息学资源,用于鉴定 RiPPs(核糖体合成和翻译后修饰肽)的生物合成基因簇(BGC),并从基因组序列开始自动预测 RiPP 的交联化学结构。它是 RiPPMiner 网络服务器的重大更新,该服务器仅使用 RiPP 前体的肽序列作为输入,用于预测 RiPP 类和交联化学结构。其他主要改进包括,基于机器学习(ML)的从 BGC 中的多个小 ORF(开放阅读框)中识别正确的 RiPP 前体肽,预测硫肽中的切割位点和交联以及鉴定兰尼肽中的非交联修饰残基。它已在 204 个经过实验表征的 RiPP BGC 数据集上进行了基准测试。RiPPMiner-Genome 还便于可视化 RiPP BGC,并描绘交联 RiPP 的化学结构。它还具有一个用于搜索特征化 RiPP 的接口,类似于预测的核心肽序列或交联化学结构。

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