Use of a new label, 13C = 18O, in the determination of a structural model of phospholamban in a lipid bilayer. Spatial restraints resolve the ambiguity arising from interpretations of mutagenesis data

Jaume Torres, Paul D. Adams, Isaiah T. Arkin*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

91 Scopus citations

Abstract

A structural model of pentameric phospholamban (Plb) in a lipid bilayer has been derived using a combination of experimental data, obtained from ATR-FTIR site-directed dichroism, and the implementation of the resulting restraints during a molecular dynamics simulation. Plb (residues 24-52) has been synthesised incorporating a new label, 1-13C = 18O, at residues 42 and 43. We have not only determined the tilt of the helices, 10(±6)°, but also the relative orientation of the transmembrane segments, with an ω angle of -32(±10)°for L42. This angle is taken as zero in the direction of the helix tilt. Plb is a simple test case where site-directed dichroism has been applied to resolve the indeterminacy arising from the mutagenesis data available. The results presented point specifically to a single structural model for Plb. (C) 2000 Academic Press.

Original languageAmerican English
Pages (from-to)677-685
Number of pages9
JournalJournal of Molecular Biology
Volume300
Issue number4
DOIs
StatePublished - 21 Jul 2000
Externally publishedYes

Bibliographical note

Funding Information:
This work was supported by a grant from the BBSRC and Wellcome to I.T.A.

Keywords

  • Infrared spectroscopy
  • Ion channel
  • Molecular dynamics
  • Phospholamban

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