DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data
Author(s) -
Alexey Kikhney,
Alejandro Panjkovich,
Anna Sokolova,
Dmitri I. Svergun
Publication year - 2015
Publication title -
bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/btv611
Subject(s) - small angle x ray scattering , scattering , macromolecule , small angle scattering , crystallography , materials science , computer science , biological system , physics , optics , chemistry , biology , biochemistry
Small angle X-ray scattering (SAXS) is an established method for studying biological macromolecules in solution, whereby the experimental scattering patterns relate to the quaternary and tertiary structure of the macromolecule. Here we present DARA, a web-server, that queries over 150 000 scattering profiles pre-computed from the high resolution models of macromolecules and biological assemblies in the Protein Data Bank, to rapidly find nearest neighbours of a given experimental or theoretical SAXS pattern. Identification of the best scattering equivalents provides a straightforward and automated way of structural assessment of macromolecules based on a SAXS profile. DARA results are useful e.g. for fold recognition and finding of biologically active oligomers.
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