Quantitative comparison of ABC membrane protein type I exporter structures in a standardized way

Georgina Csizmadia, Bianka Farkas, Zoltán Spagina, Hedvig Tordai, Tamás Hegedűs

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

An increasing number of ABC membrane protein structures are determined by cryo-electron microscopy and X-ray crystallography, consequently identifying differences between their conformations has become an arising issue. Therefore, we propose to define standardized measures for ABC Type I exporter structure characterization. We set conformational vectors, conftors, which describe the relative orientation of domains and can highlight structural differences. In addition, continuum electrostatics calculations were performed to characterize the energetics of membrane insertion illuminating functionally crucial regions. In summary, the proposed metrics contribute to deeper understanding of ABC membrane proteins’ structural features, structure validation, and analysis of movements observed in a molecular dynamics trajectory. Moreover, the concept of standardized metrics can be applied not only to ABC membrane protein structures (http://conftors.hegelab.org).

Original languageEnglish
Pages (from-to)396-403
Number of pages8
JournalComputational and Structural Biotechnology Journal
Volume16
DOIs
Publication statusPublished - Jan 1 2018

Keywords

  • ABC proteins
  • Membrane proteins
  • Quantitative structural properties
  • Structure comparison
  • Structure validation

ASJC Scopus subject areas

  • Biotechnology
  • Biophysics
  • Structural Biology
  • Biochemistry
  • Genetics
  • Computer Science Applications

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