firestar -: prediction of functionally important residues using structural templates and alignment reliability
firestar -: prediction of functionally important residues using structural templates and alignment reliability
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DOI：
10.1093/nar/gkm297
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发表时间：
2007-07-01
影响因子：
14.9
通讯作者：
Tress, Michael L.
中科院分区：
文献类型：
--
作者：
Lopez, Gonzalo;Valencia, Alfonso;Tress, Michael L.
在这里，我们提出了firestar，一个专家系统，用于预测蛋白质结构中的配体结合残基。该服务器提供了一种从FireDB数据库中组织的功能重要残基的大量库存中推断的方法，并添加了有关潜在结合残基的局部保护的信息。该界面允许用户通过蛋白质序列或结构进行查询。用户可以访问具有相关功能重要结合位点的结构的成对和多重比对。结果以一系列易于阅读的显示形式呈现，允许用户比较同源蛋白质之间的结合残基保守性。结合位点残基也可以用分子可视化工具来观察。Firestar的一个特点是它可以用于评估PDB结构中存在的小分子配体的生物相关性。使用该服务器，很容易辨别小分子结合是否在同源结构中保守。我们发现这个工具在最近评估CASP7功能预测时特别有用。可用性：http://firedb.bioinfo.cnio.es/Php/FireStar.php.
Here we present firestar, an expert system for predicting ligand-binding residues in protein structures. The server provides a method for extrapolating from the large inventory of functionally important residues organized in the FireDB database and adds information about the local conservation of potential-binding residues. The interface allows users to make queries by protein sequence or structure. The user can access pair-wise and multiple alignments with structures that have relevant functionally important binding sites. The results are presented in a series of easy to read displays that allow users to compare binding residue conservation across homologous proteins. The binding site residues can also be viewed with molecular visualization tools. One feature of firestar is that it can be used to evaluate the biological relevance of small molecule ligands present in PDB structures. With the server it is easy to discern whether small molecule binding is conserved in homologous structures. We found this facility particularly useful during the recent assessment of CASP7 function prediction. Availability: http://firedb.bioinfo.cnio.es/Php/FireStar.php.