Statistical analysis of electron transfer dissociation pairwise fragmentation patterns.
Statistical analysis of electron transfer dissociation pairwise fragmentation patterns.
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DOI：
10.1021/ac202327r
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发表时间：
2011-12-15
影响因子：
7.4
通讯作者：
Wysocki, Vicki H.
中科院分区：
文献类型：
--
作者：
Li, Wenzhou;Song, Chi;Bailey, Derek J.;Tseng, George C.;Coon, Joshua J.;Wysocki, Vicki H.
电子转移解离(ETD)是近年来发展起来的另一种多肽解离方法。与传统的碰撞诱导解离(CID)b和y离子形成相比，ETD产生c和z离子，主链断裂被认为选择性较低。我们之前已经报告了一种统计数据挖掘策略的应用，K-Means聚类，以发现CID的碎片模式，这里我们报告了该方法在ETD光谱中的应用。我们使用来自三种不同蛋白水解酶的ETD数据集。数据分析表明，ETD确实存在选择性切割，其碎裂模式受蛋白酶、电荷态和氨基酸残基组成的影响。我们还注意到，与C-末端氨基酸残基的丢失相对应的CN-1离子在统计上是强的，与多肽C-末端的残基无关，这表明多肽的气相构象在解离途径中起着重要作用。这些模式为ETD多肽识别算法的机理阐明、光谱预测和改进奠定了基础。
Electron transfer dissociation (ETD) is an alternative peptide dissociation method developed in recent years. Compared with the traditional collision induced dissociation (CID) b and y ion formation, ETD generates c and z ions and the backbone cleavage is believed to be less selective. We have reported previously the application of a statistical data mining strategy, K-means clustering, to discover fragmentation patterns for CID, and here we report application of this approach to ETD spectra. We use ETD data sets from digestions with three different proteases. Data analysis shows that selective cleavages do exist for ETD, with the fragmentation patterns affected by protease, charge states, and amino acid residue compositions. It is also noticed that the cn-1 ion, corresponding to loss of the C-terminal amino acid residue, is statistically strong regardless of the residue at the C-terminus of the peptide, which suggest that peptide gas phase conformation plays important roles in the dissociation pathways. These patterns provide a basis for mechanism elucidation, spectral prediction, and improvement of ETD peptide identification algorithms.
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影响因子：
--
作者：
Moss, Christopher L.;Chung, Thomas W.;Turecek, Frantisek
通讯作者：
Turecek, Frantisek
影响因子：
16.6
作者：
Savitski, Mikhail M.;Kjeldsen, Frank;Zubarev, Roman A.
通讯作者：
Zubarev, Roman A.
DOI：
10.1016/j.jasms.2004.02.011
发表时间：
2004-06-01
影响因子：
3.2
作者：
Gibbons, FD;Elias, JE;Roth, FP
通讯作者：
Roth, FP
影响因子：
7.4
作者：
Chalkley, R. J.;Medzihradszky, K. F.;Burlingame, A. L.
通讯作者：
Burlingame, A. L.
影响因子：
4.4
作者：
Huang, Yingying;Tseng, George C.;Wysocki, Vicki H.
通讯作者：
Wysocki, Vicki H.