PSC: protein surface classification.

PSC: protein surface classification.
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DOI:
10.1093/nar/gks495
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发表时间:
2012-07
影响因子:
14.9
通讯作者:
Li WH
Li WH
中科院分区:
生物学2区
文献类型:
--
作者:
Tseng YY;Li WH

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我们最近提出根据蛋白质的功能表面对蛋白质进行分类。利用功能表面的结构属性,我们推断了蛋白质的成对关系,并构建了可扩展的蛋白质表面分类(PSC)数据库。由于蛋白质的功能表面是蛋白质发挥其功能的局部区域,因此我们的分类可以反映蛋白质之间的功能关系。目前,PSC 包含 1974 个表面类型的库,其中包括从 24-170 个结合结构中识别出的 25-857 个功能表面。 PSC 中的搜索工具使用户能够探索具有相似局部结构和核心功能的相关表面。每个功能表面都具有结构属性,这些属性是几何、物理化学或进化特征。这些属性已被标准化为描述符并集成以生成 PSC 中每个功能表面的轮廓。此外,记录结合配体以用于同系物之间的比较。 PSC 允许用户利用相关的结合表面来揭示同源物上功能重要残基的变化,这些变化导致进化过程中的功能分歧。空间模式关键残基的取代可能决定蛋白质的功能进化。在 PSC (http://pocket.uchicago.edu/psc/) 中,提供了类似功能表面上残基变化的池。
We recently proposed to classify proteins by their functional surfaces. Using the structural attributes of functional surfaces, we inferred the pairwise relationships of proteins and constructed an expandable database of protein surface classification (PSC). As the functional surface(s) of a protein is the local region where the protein performs its function, our classification may reflect the functional relationships among proteins. Currently, PSC contains a library of 1974 surface types that include 25 857 functional surfaces identified from 24 170 bound structures. The search tool in PSC empowers users to explore related surfaces that share similar local structures and core functions. Each functional surface is characterized by structural attributes, which are geometric, physicochemical or evolutionary features. The attributes have been normalized as descriptors and integrated to produce a profile for each functional surface in PSC. In addition, binding ligands are recorded for comparisons among homologs. PSC allows users to exploit related binding surfaces to reveal the changes in functionally important residues on homologs that have led to functional divergence during evolution. The substitutions at the key residues of a spatial pattern may determine the functional evolution of a protein. In PSC (http://pocket.uchicago.edu/psc/), a pool of changes in residues on similar functional surfaces is provided.
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