用于串联质谱鉴定多肽的计量方法  

A Novel Approach for Peptide Identification by Tandem Mass Spectrometry

作　　者：盛泉虎[1] 汤海旭[2] 解涛 王连水[1] 丁达夫[1] 

机构地区：[1]中国科学院上海生命科学研究院生物化学与细胞生物学研究所蛋白质组学重点实验室,上海200031 [2]加州大学圣地亚哥分校计算科学与工程系,圣地亚哥92093 [3]加州大学系统生物学研究所,华盛顿98103

出　　处：《生物化学与生物物理学报》2003年第8期734-740,共7页

基　　金：国家高技术研究发展计划 (863计划)资助项目(No .2 0 0 2AA2 3 40 2 1) ;中国科学院知识创新工程项目(No.KJCX1 0 8);上海市科学技术委员会科技项目(No.0 0JC14 018);国家自然科学基金重大项目(No.3 9990 60 00 3 )~~

摘　　要：目前已有多种对串联质谱与数据库中多肽的理论质谱的一致性进行评估的高通量计量算法用于鸟枪法蛋白质组学 (shotgunproteomics)研究。然而这些方法操作时存在大量错误的多肽鉴定。这里提出一种新的串联质谱识别多肽序列的计量算法。该算法综合考虑了串联质谱中不同离子出现的概率、多肽的酶切位点数、理论离子与实验离子的匹配程度和匹配模式。对大容量的串联质谱数据集的测试表明 ,根据算法开发的软件PepSearch比目前最常用的软件SEQUEST有更好的鉴定准确性。PepSearch可从http : compbio.sibsnet.org projects pepsearch下载。High throughput scoring algorithms that are used to find the match of a tandem mass spectrum to a predicted mass spectrum of a peptide within a database have been applied in shotgun proteomics. However, these algorithms could produce a significant number of incorrect peptide identifications. Here a novel approach was developed to scoring tandem mass spectra against a peptide database, in which fragment ion probabilities, number of enzymatic termini of candidate peptides, matching quality and match pattern between experimental and theoretical spectrum were considered. Benchmarking the novel scorer on a large set of experimental MS/MS spectra, it is demonstrated that PepSearch performs significantly better than the widely used software SEQUEST. The PepSearch software is available at http://compbio.sibsnet.org/projects/pepsearch.

关 键 词：蛋白质组信息学 数据库搜索 多肽鉴定 概率模型 串联质谱 

分 类 号：Q516[生物学—生物化学]