A structural-alphabet-based strategy for finding structural motifs across protein families

Nucleic Acids Res. 2010 Aug;38(14):e150. doi: 10.1093/nar/gkq478. Epub 2010 Jun 4.

Abstract

Proteins with insignificant sequence and overall structure similarity may still share locally conserved contiguous structural segments; i.e. structural/3D motifs. Most methods for finding 3D motifs require a known motif to search for other similar structures or functionally/structurally crucial residues. Here, without requiring a query motif or essential residues, a fully automated method for discovering 3D motifs of various sizes across protein families with different folds based on a 16-letter structural alphabet is presented. It was applied to structurally non-redundant proteins bound to DNA, RNA, obligate/non-obligate proteins as well as free DNA-binding proteins (DBPs) and proteins with known structures but unknown function. Its usefulness was illustrated by analyzing the 3D motifs found in DBPs. A non-specific motif was found with a 'corner' architecture that confers a stable scaffold and enables diverse interactions, making it suitable for binding not only DNA but also RNA and proteins. Furthermore, DNA-specific motifs present 'only' in DBPs were discovered. The motifs found can provide useful guidelines in detecting binding sites and computational protein redesign.

Publication types

  • Evaluation Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Motifs*
  • Computational Biology / methods
  • DNA-Binding Proteins / chemistry
  • Helix-Turn-Helix Motifs
  • Models, Molecular
  • Protein Conformation
  • Protein Folding
  • Proteins / chemistry
  • Proteins / classification

Substances

  • DNA-Binding Proteins
  • Proteins