Using domain-based structural ensemble to improve structure modeling

Fa Zhang*, Zhaoyun Ma, Zhiyong Liu, Bo Yuan

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

In this paper, we presented a method to improve structural modeling based on conserved domain clusters and structure-anchored alignment. First we mapped all the InterPro domains in the entire PDB, partitioned and clustered homologous domains into the domain-based template library. This aimed at expanding structural coverage to more protein sequences. For each cluster, we generated a multiple structural alignment based only on the 3D information. Then we extracted a core-structure and built a position-specific profile from the structure and sequence information for each of cluster. Based on the multiple structural alignments, core-structures and the profiles, we developed a structure-anchored alignment method to increase the alignment accuracy between a query and its templates. Preliminary results show that our template library and the structure-anchored alignment method can be used for the prediction for a majority of known protein sequences with better qualities.

Original languageEnglish
Title of host publicationProceedings of the 7th IEEE International Conference on Bioinformatics and Bioengineering, BIBE
Pages835-841
Number of pages7
DOIs
Publication statusPublished - 2007
Externally publishedYes
Event7th IEEE International Conference on Bioinformatics and Bioengineering, BIBE - Boston, MA, United States
Duration: 14 Jan 200717 Jan 2007

Publication series

NameProceedings of the 7th IEEE International Conference on Bioinformatics and Bioengineering, BIBE

Conference

Conference7th IEEE International Conference on Bioinformatics and Bioengineering, BIBE
Country/TerritoryUnited States
CityBoston, MA
Period14/01/0717/01/07

Keywords

  • Alignment
  • Core structure
  • Domain
  • Structure modeling

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