Macromolecular docking restrained by a small angle X-ray scattering profile.

ABSTRACT: While many structures of single protein components are becoming available, structural characterization of their complexes remains challenging. Methods for modeling assembly structures from individual components frequently suffer from large errors, due to protein flexibility and inaccurate scoring functions. However, when additional information is available, it may be possible to reduce the errors and compute near-native complex structures. One such type of information is a small angle X-ray scattering (SAXS) profile that can be collected in a high-throughput fashion from a small amount of sample in solution. Here, we present an efficient method for protein-protein docking with a SAXS profile (FoXSDock): generation of complex models by rigid global docking with PatchDock, filtering of the m

SUBMITTER: Schneidman-Duhovny D 

PROVIDER: S-EPMC3040266 | biostudies-literature | 2011 Mar

REPOSITORIES: biostudies-literature