Department of Chemistry, Yale University, New Haven, CT 06520, USA.
J Struct Biol. 2012 Sep;179(3):320-6. doi: 10.1016/j.jsb.2012.02.001. Epub 2012 Feb 11.
In recent years, major advances in genomics, proteomics, macromolecular structure determination, and the computational resources capable of processing and disseminating the large volumes of data generated by each have played major roles in advancing a more systems-oriented appreciation of biological organization. One product of systems biology has been the delineation of graph models for describing genome-wide protein-protein interaction networks. The network organization and topology which emerges in such models may be used to address fundamental questions in an array of cellular processes, as well as biological features intrinsic to the constituent proteins (or "nodes") themselves. However, graph models alone constitute an abstraction which neglects the underlying biological and physical reality that the network's nodes and edges are highly heterogeneous entities. Here, we explore some of the advantages of introducing a protein structural dimension to such models, as the marriage of conventional network representations with macromolecular structural data helps to place static node and edge constructs in a biologically more meaningful context. We emphasize that 3D protein structures constitute a valuable conceptual and predictive framework by discussing examples of the insights provided, such as enabling in silico predictions of protein-protein interactions, providing rational and compelling classification schemes for network elements, as well as revealing interesting intrinsic differences between distinct node types, such as disorder and evolutionary features, which may then be rationalized in light of their respective functions within networks.
近年来,基因组学、蛋白质组学、大分子结构测定以及能够处理和传播每个领域产生的大量数据的计算资源在推进更系统的生物组织认识方面发挥了重要作用。系统生物学的一个产物是描述全基因组蛋白质-蛋白质相互作用网络的图形模型的描绘。在这样的模型中出现的网络组织和拓扑结构可用于解决一系列细胞过程中的基本问题,以及构成蛋白质(或“节点”)本身的固有生物学特征。然而,仅图形模型构成了一种抽象,它忽略了网络的节点和边缘是高度异质实体的基础生物学和物理现实。在这里,我们探讨了将蛋白质结构维度引入此类模型的一些优势,因为传统网络表示形式与大分子结构数据的结合有助于将静态节点和边缘结构置于更具生物学意义的上下文中。我们强调,3D 蛋白质结构构成了一个有价值的概念和预测框架,通过讨论所提供的见解示例,例如能够进行蛋白质-蛋白质相互作用的计算预测、为网络元素提供合理且引人注目的分类方案,以及揭示不同节点类型之间有趣的内在差异,例如无序和进化特征,然后可以根据它们在网络中的各自功能进行合理化。