GlycoPep Detector: a tool for assigning mass spectrometry data of N-linked glycopeptides on the basis of their electron transfer dissociation spectra.

GlycoPep Detector: a tool for assigning mass spectrometry data of N-linked glycopeptides on the basis of their electron transfer dissociation spectra.
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糖pep探测器:一种根据其电子传递分离光谱分配N连接糖肽的质谱数据的工具。

DOI:
10.1021/ac400287n
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发表时间:
2013-05-21
影响因子:
7.4
通讯作者:
Desaire, Heather
Desaire, Heather
中科院分区:
化学1区
文献类型:
--
作者:
Zhu, Zhikai;Hua, David;Clark, Daniel F.;Go, Eden P.;Desaire, Heather

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电子转移解离(ETD)通常用于质谱分析中的N-连接糖肽片段化,以补充碰撞诱导解离(CID)实验。聚糖通过ETD保持完整,而肽骨架被切割,提供糖肽的氨基酸序列。尽管如此,由于与CID对应物相比,ETD质谱的复杂性和多样性,数据分析是基于ETD数据的高通量糖肽鉴定的主要瓶颈。GlycoPep检测器(GPD)是一种基于网络的工具,可以解决这一挑战。它过滤掉干扰糖肽测序的噪声峰,将输入的糖肽组成与ETD光谱相关联,并为每个候选者分配分数。通过考虑多个离子系列(c-、z-和y-离子)并分别对其进行评分,软件为与光谱中高强度峰匹配的离子系列提供更多权重。该特征使得正确的糖肽能够获得高分,同时使不正确的组合物的分数保持较低。GPD已被用于解释收集的六种模型糖蛋白(RNA酶B、抗生物素蛋白、胎球蛋白、去唾液酸胎球蛋白、转铁蛋白和AGP)以及进化枝C HIV包膜糖蛋白C. 97 ZA 012 gp 140 ΔCFI的数据。在GPD进行的每一次分配中,正确的糖肽组合物获得的分数比其他不正确的糖肽候选物(诱饵)高出约两倍。该软件可在http://glycopro.chem.ku.edu/ZZKHome.php上访问。
Electron transfer dissociation (ETD) is commonly used in fragmenting N-linked glycopeptides in their mass spectral analyses to complement collision induced dissociation (CID) experiments. The glycan remains intact through ETD, while the peptide backbone is cleaved, providing the sequence of amino acids for a glycopeptide. Nonetheless, data analysis is a major bottleneck to high throughput glycopeptide identification based on ETD data, due to the complexity and diversity of ETD mass spectra compared to CID counterparts. GlycoPep Detector (GPD) is a web-based tool to address this challenge. It filters out noise peaks that interfere with glycopeptide sequencing, correlates input glycopeptide compositions with the ETD spectra, and assigns a score for each candidate. By considering multiple ion series (c-, z- and y-ions) and scoring them separately, the software gives more weighting to the ion series that matches peaks of high intensity in the spectra. This feature enables the correct glycopeptide to receive a high score while keeping scores of incorrect compositions low. GPD has been utilized to interpret data collected on six model glycoproteins (RNase B, avidin, fetuin, asialofetuin, transferrin and AGP) as well as a clade C HIV envelope glycoprotein, C.97ZA012 gp140ΔCFI. In every assignment made by GPD, the correct glycopeptide composition earns a score that is about two-fold higher than other incorrect glycopeptide candidates (decoys). The software can be accessed at http://glycopro.chem.ku.edu/ZZKHome.php.
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