Leveraging glycomics data in glycoprotein 3D structure validation with Privateer.

Leveraging glycomics data in glycoprotein 3D structure validation with Privateer.
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DOI:
10.3762/bjoc.16.204
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发表时间:
2020
影响因子:
2.7
通讯作者:
Agirre J
Agirre J
中科院分区:
化学4区
文献类型:
--
作者:
Bagdonas H;Ungar D;Agirre J

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糖蛋白中聚糖的异质性、流动性和复杂性一直是结构生物学的重大挑战。这些方面对两种最多产的技术:x射线晶体学和低温电子显微镜提出了独特的问题。与此同时,质谱技术的进步使人们能够更深入地了解结构解决方法最难恢复的信息:全长聚糖组成,包括糖苷键的链接细节。这些发展导致了糖组学的出现。值得庆幸的是,一些大规模的糖组学计划已经将结果存储在公开可用的数据库中,其中一些可以通过API接口访问。在目前的工作中,我们将描述如何将Privateer碳水化合物结构验证软件扩展到利用糖组学项目的结果,以及如何使用它来大大提高3D糖蛋白结构的验证。
The heterogeneity, mobility and complexity of glycans in glycoproteins have been, and currently remain, significant challenges in structural biology. These aspects present unique problems to the two most prolific techniques: X-ray crystallography and cryo-electron microscopy. At the same time, advances in mass spectrometry have made it possible to get deeper insights on precisely the information that is most difficult to recover by structure solution methods: the full-length glycan composition, including linkage details for the glycosidic bonds. The developments have given rise to glycomics. Thankfully, several large scale glycomics initiatives have stored results in publicly available databases, some of which can be accessed through API interfaces. In the present work, we will describe how the Privateer carbohydrate structure validation software has been extended to harness results from glycomics projects, and its use to greatly improve the validation of 3D glycoprotein structures.
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