title: Deciphering Supramolecular Structures with Protein-Protein Interaction Network Modeling.
abstract: Many biological molecules are assembled into supramolecules that are essential to perform complicated functions in the cell. However, experimental information about the structures of supramolecules is not sufficient at this point. We developed a method of predicting and modeling the structures of supramolecules in a biological network by combining structural data of the Protein Data Bank (PDB) and interaction data in IntAct databases. Templates for binary complexes in IntAct were extracted from PDB. Modeling was attempted by assembling binary complexes with superposed shared subunits. A total of 3,197 models were constructed, and 1,306 (41% of the total) contained at least one subunit absent from experimental structures. The models also suggested 970 (25% of the total) experimentally undetected subunit interfaces, and 41 human disease-related amino acid variants were mapped onto these model-suggested interfaces. The models demonstrated that protein-protein interaction network modeling is useful to fill the information gap between biological networks and structures.
authors.affiliation: Nagahama Institute of Bio-Science and Technology, and Japan Science and Technology Agency, Bioinformatics Research Division, Nagahama, Shiga 526-0829, Japan.
authors.forename: Toshiyuki
authors.initials: T
authors.lastname: Tsuji
authors.affiliation: Nagahama Institute of Bio-Science and Technology, and Japan Science and Technology Agency, Bioinformatics Research Division, Nagahama, Shiga 526-0829, Japan.
authors.forename: Takao
authors.initials: T
authors.lastname: Yoda
authors.affiliation: Nagahama Institute of Bio-Science and Technology, and Japan Science and Technology Agency, Bioinformatics Research Division, Nagahama, Shiga 526-0829, Japan.
authors.forename: Tsuyoshi
authors.initials: T
authors.lastname: Shirai
mesh_terms: D019943:Amino Acid Substitution; D019295:Computational Biology / Q000379:methods; D030562:Databases, Protein; D006801:Humans; D008958:Models, Molecular; D046912:Multiprotein Complexes / Q000737:chemistry*; D011485:Protein Binding; D011487:Protein Conformation; D025941:Protein Interaction Mapping; D060066:Protein Interaction Maps; D011506:Proteins / Q000737:chemistry*
chemical_list: D046912:Multiprotein Complexes; D011506:Proteins