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保守的二级结构基序在早期折叠(计算机模拟)中就已存在,如在丝氨酸蛋白酶抑制剂家族中所发现的那样。

Conservative secondary structure motifs already present in early-stage folding (in silico) as found in serpines family.

作者信息

Brylinski Michal, Konieczny Leszek, Kononowicz Andrzej, Roterman Irena

机构信息

Department of Bioinformatics and Telemedicine, Collegium Medicum-Jagiellonian University, Kopernika 17, 31501 Cracow, Poland.

出版信息

J Theor Biol. 2008 Mar 21;251(2):275-85. doi: 10.1016/j.jtbi.2007.10.041. Epub 2007 Nov 7.

Abstract

The well-known procedure implemented in ClustalW oriented on the sequence comparison was applied to structure comparison. The consensus sequence as well as consensus structure has been defined for proteins belonging to serpine family. The structure of early stage intermediate was the object for similarity search. The high values of W(sequence) appeared to be accordant with high values of W(structure) making possible structure comparison using common criteria for sequence and structure comparison. Since the early stage structural form has been created according to limited conformational sub-space which does not include the beta-structure (this structure is mediated by C7eq structural form), is particularly important to see, that the C7eq structural form may be treated as the seed for beta-structure present in the final native structure of protein. The applicability of ClustalW procedure to structure comparison makes these two comparisons unified.

摘要

在ClustalW中实施的以序列比较为导向的著名程序被应用于结构比较。已为丝氨酸蛋白酶抑制剂家族的蛋白质定义了共有序列和共有结构。早期中间体的结构是相似性搜索的对象。W(序列)的高值似乎与W(结构)的高值一致,这使得使用序列和结构比较的通用标准进行结构比较成为可能。由于早期结构形式是根据不包括β结构(该结构由C7eq结构形式介导)的有限构象子空间创建的,特别重要的是要看到,C7eq结构形式可被视为蛋白质最终天然结构中存在的β结构的种子。ClustalW程序在结构比较中的适用性使这两种比较得以统一。

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