Complete enumeration of compact structural motifs in proteins

Bhadrachalam Chitturi, Doina Bein, Nick V. Grishin

Research output: Chapter in Book/Report/Conference proceedingConference contribution

8 Scopus citations

Abstract

The search of structural motifs that specify the spatial arrangement of polypeptide segments is preferred over other methods such as common substructure discovery and structural superposition in comparing protein structures. 3D protein structures can be modeled as graphs whose maximum degree is bounded by a constant. Structural motifs can also be modeled as graphs and a significant percentage of them are trees. Thus, motif search in proteins can be modeled as an enumeration of isomorphic subgraphs where a query tree Q with m nodes is searched in a sparse graph G with n nodes and the maximum degree of any node in G is bounded by a constant ε. We design an efficient divide-and-conquer algorithm that finds all copies of Q in G by partitioning Q using a minimum dominating set. This strategy can be extended to sparse query graphs that can be reduced to trees by deleting a small number of edges.

Original languageEnglish (US)
Title of host publicationISB 2010 Proceedings - International Symposium on Biocomputing
DOIs
StatePublished - May 3 2010
EventInternational Symposium on Biocomputing, ISB 2010 - Calicut, Kerala, India
Duration: Feb 15 2010Feb 17 2010

Publication series

NameISB 2010 Proceedings - International Symposium on Biocomputing

Other

OtherInternational Symposium on Biocomputing, ISB 2010
CountryIndia
CityCalicut, Kerala
Period2/15/102/17/10

Keywords

  • Complete subgraph enumeration
  • Divide-and-conquer
  • Dominating set
  • Motif
  • Protein structure

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Computational Theory and Mathematics
  • Software
  • Pharmaceutical Science

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  • Cite this

    Chitturi, B., Bein, D., & Grishin, N. V. (2010). Complete enumeration of compact structural motifs in proteins. In ISB 2010 Proceedings - International Symposium on Biocomputing [1722047] (ISB 2010 Proceedings - International Symposium on Biocomputing). https://doi.org/10.1145/1722024.1722047