Online carbohydrate 3D structure validation with the Privateer web app.

IF 1.1 4区 生物学 Q4 BIOCHEMICAL RESEARCH METHODS Acta crystallographica. Section F, Structural biology communications Pub Date : 2024-02-01 Epub Date: 2024-01-24 DOI:10.1107/S2053230X24000359
Jordan S Dialpuri, Haroldas Bagdonas, Lucy C Schofield, Phuong Thao Pham, Lou Holland, Paul S Bond, Filomeno Sánchez Rodríguez, Stuart J McNicholas, Jon Agirre
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Abstract

Owing to the difficulties associated with working with carbohydrates, validating glycan 3D structures prior to deposition into the Protein Data Bank has become a staple of the structure-solution pipeline. The Privateer software provides integrative methods for the validation, analysis, refinement and graphical representation of 3D atomic structures of glycans, both as ligands and as protein modifiers. While Privateer is free software, it requires users to install any of the structural biology software suites that support it or to build it from source code. Here, the Privateer web app is presented, which is always up to date and available to be used online (https://privateer.york.ac.uk) without installation. This self-updating tool, which runs locally on the user's machine, will allow structural biologists to simply and quickly analyse carbohydrate ligands and protein glycosylation from a web browser whilst retaining all confidential information on their devices.

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利用 Privateer 网络应用程序在线验证碳水化合物的三维结构。
由于与碳水化合物相关的工作困难重重,在将聚糖三维结构存入蛋白质数据库之前对其进行验证已成为结构解析管道的主要工作。Privateer 软件提供了验证、分析、完善和以图形表示聚糖三维原子结构的综合方法,既可作为配体,也可作为蛋白质修饰物。虽然 Privateer 是免费软件,但它要求用户安装任何支持它的结构生物学软件套件,或从源代码中构建它。这里介绍的 Privateer 网络应用程序始终是最新的,无需安装即可在线使用(https://privateer.york.ac.uk)。这种在用户机器上本地运行的自我更新工具,将使结构生物学家能够通过网络浏览器简单快速地分析碳水化合物配体和蛋白质糖基化,同时将所有机密信息保留在他们的设备上。
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来源期刊
Acta crystallographica. Section F, Structural biology communications
Acta crystallographica. Section F, Structural biology communications BIOCHEMICAL RESEARCH METHODSBIOCHEMISTRY &-BIOCHEMISTRY & MOLECULAR BIOLOGY
CiteScore
1.90
自引率
0.00%
发文量
95
期刊介绍: Acta Crystallographica Section F is a rapid structural biology communications journal. Articles on any aspect of structural biology, including structures determined using high-throughput methods or from iterative studies such as those used in the pharmaceutical industry, are welcomed by the journal. The journal offers the option of open access, and all communications benefit from unlimited free use of colour illustrations and no page charges. Authors are encouraged to submit multimedia content for publication with their articles. Acta Cryst. F has a dedicated online tool called publBio that is designed to make the preparation and submission of articles easier for authors.
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