DARA: a web server for rapid search of structural neighbours using solution small angle X-ray scattering data

Bioinformatics. 2016 Feb 15;32(4):616-8. doi: 10.1093/bioinformatics/btv611. Epub 2015 Oct 25.

Abstract

Motivation: 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.

Availability and implementation: http://dara.embl-hamburg.de/.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Databases, Protein
  • Internet
  • Macromolecular Substances / chemistry*
  • Scattering, Small Angle*
  • Software*
  • X-Ray Diffraction*

Substances

  • Macromolecular Substances