Assembling multidomain protein structures through analogous global structural alignments.

ABSTRACT: Most proteins exist with multiple domains in cells for cooperative functionality. However, structural biology and protein folding methods are often optimized for single-domain structures, resulting in a rapidly growing gap between the improved capability for tertiary structure determination and high demand for multidomain structure models. We have developed a pipeline, termed DEMO, for constructing multidomain protein structures by docking-based domain assembly simulations, with interdomain orientations determined by the distance profiles from analogous templates as detected through domain-level structure alignments. The pipeline was tested on a comprehensive benchmark set of 356 proteins consisting of 2-7 continuous and discontinuous domains, for which DEMO generated models with correct g

SUBMITTER: Zhou X 

PROVIDER: S-EPMC6689945 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature