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iMolTalk:一个基于互联网的交互式蛋白质结构分析服务器。

iMolTalk: an interactive, internet-based protein structure analysis server.

作者信息

Diemand Alexander V, Scheib Holger

机构信息

University of Lausanne and Swiss Institute of Bioinformatics, Chemin des Boveresses 155, 1066 Epalinges s/Lausanne, Switzerland.

出版信息

Nucleic Acids Res. 2004 Jul 1;32(Web Server issue):W512-6. doi: 10.1093/nar/gkh403.

DOI:10.1093/nar/gkh403
PMID:15215439
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC441541/
Abstract

iMolTalk (http://i.moltalk.org) is a new and interactive web server for protein structure analysis. It addresses the need to identify and highlight biochemically important regions in protein structures. As input, the server requires only the four-digit Protein Data Bank (PDB) identifier, of an experimentally determined structure or a structure file in PDB format stemming e.g. from comparative modelling. iMolTalk offers a wide range of implemented tools (i) to extract general information from PDB files, such as generic header information or the sequence derived from three-dimensional co-ordinates; (ii) to map corresponding residues from sequence to structure; (iii) to search for contacts of residues (amino or nucleic acids) or heterogeneous groups to the protein, present cofactors and substrates; and (iv) to identify protein-protein interfaces between chains in a structure. The server provides results as user-friendly two-dimensional graphical representations and in textual format, ideal for further processing. At any time during the analysis, the user can choose, for the following step, from the set of implemented tools or submit his/her own script to the server to extend the functionality of iMolTalk.

摘要

iMolTalk(http://i.moltalk.org)是一个用于蛋白质结构分析的新型交互式网络服务器。它满足了识别和突出蛋白质结构中生物化学重要区域的需求。作为输入,该服务器仅需要实验确定结构的四位数蛋白质数据库(PDB)标识符,或例如源自比较建模的PDB格式的结构文件。iMolTalk提供了广泛的已实现工具:(i)从PDB文件中提取一般信息,如通用头部信息或从三维坐标推导的序列;(ii)将序列中的相应残基映射到结构上;(iii)搜索残基(氨基酸或核酸)或异质基团与蛋白质、存在的辅因子和底物的接触;以及(iv)识别结构中链之间的蛋白质-蛋白质界面。该服务器以用户友好的二维图形表示和文本格式提供结果,非常适合进一步处理。在分析过程中的任何时候,用户都可以为下一步从已实现的工具集中选择,或者向服务器提交自己的脚本以扩展iMolTalk的功能。

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