SPI-EM: towards a tool for predicting CATH superfamilies in 3D-EM maps

J Mol Biol. 2005 Jan 28;345(4):759-71. doi: 10.1016/j.jmb.2004.11.005.

Abstract

In this paper the theoretical framework used to build a superfamily probability in electron microscopy (SPI-EM) is presented. SPI-EM is a new tool for determining the homologous superfamily to which a protein domain belongs looking at its three-dimensional electron microscopy map. The homologous superfamily is assigned according to the domain-architecture database CATH. Our method follows a probabilistic approach applied to the results of fitting protein domains into maps of proteins and the computation of local cross-correlation coefficient measures. The method has been tested and its usefulness proven with isolated domains at a resolution of 8 A and 12 A. Results obtained with simulated and experimental data at 10 A suggest that it is also feasible to detect the correct superfamily of the domains when dealing with electron microscopy maps containing multi-domain proteins. The inherent difficulties and limitations that multi-domain proteins impose are discussed. Our procedure is complementary to other techniques existing in the field to detect structural elements in electron microscopy maps like alpha-helices and beta-sheets. Based on the proposed methodology, a database of relevant distributions is being built to serve the community.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Color
  • Computer Simulation*
  • Databases, Protein*
  • Microscopy, Electron / methods*
  • Models, Molecular
  • Probability
  • Protein Structure, Tertiary
  • Proteins / chemistry
  • Proteins / classification*
  • Proteins / ultrastructure*
  • Software

Substances

  • Proteins