Sequence-specific NMR assignment of proteins by global fragment mapping with the program MAPPER
Sequence-specific NMR assignment of proteins by global fragment mapping with the program MAPPER
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DOI：
10.1023/a:1008318805889
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发表时间：
2000-10-01
影响因子：
2.7
通讯作者：
Wüthrich, K
中科院分区：
文献类型：
--
作者：
Güntert, P;Salzmann, M;Wüthrich, K
本文介绍了一种新的蛋白质序列特异性NMR半自动归属程序Mapper。该程序使用连续相邻残基的短片段的输入，其已经基于连续NMR连接性组装，并且对于其C-13（α）和C-13（β）化学位移或来自其他来源的氨基酸类型的数据是已知的。然后，Mapper对所有这些片段到蛋白质序列上的自洽同时映射进行穷举搜索。与仅使用光谱连接片段的单独映射相比，全局映射增加了一个强大的新约束，这导致解决许多其他难以解决的模糊性。在最初的应用中，获得了来自金黄色葡萄球菌的110 kDa同源八聚体蛋白，7，8-二氢新蝶呤醛缩酶的几乎完整的序列特异性分配。
A new program, Mapper, for semiautomatic sequence-specific NMR assignment in proteins is introduced. The program uses an input of short fragments of sequentially neighboring residues, which have been assembled based on sequential NMR connectivities and for which either the C-13(alpha) and C-13(beta) chemical shifts or data on the amino acid type from other sources are known. Mapper then performs an exhaustive search for self-consistent simultaneous mappings of all these fragments onto the protein sequence. Compared to using only the individual mappings of the spectroscopically connected fragments, the global mapping adds a powerful new constraint, which results in resolving many otherwise intractable ambiguities. In an initial application, virtually complete sequence-specific assignments were obtained for a 110 kDa homooctameric protein, 7,8-dihydroneopterin aldolase from Staphylococcus aureus.