Large oligomeric complex structures can be computationally assembled by efficiently combining docked interfaces.

ABSTRACT: Macromolecular oligomeric assemblies are involved in many biochemical processes of living organisms. The benefits of such assemblies in crowded cellular environments include increased reaction rates, efficient feedback regulation, cooperativity and protective functions. However, an atom-level structural determination of large assemblies is challenging due to the size of the complex and the difference in binding affinities of the involved proteins. In this study, we propose a novel combinatorial greedy algorithm for assembling large oligomeric complexes from information on the approximate position of interaction interfaces of pairs of monomers in the complex. Prior information on complex symmetry is not required but rather the symmetry is inferred during assembly. We implement an efficient

SUBMITTER: Dietzen M 

PROVIDER: S-EPMC5049452 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature