Protein-induced membrane curvature investigated through molecular dynamics flexible fitting

Biophys J. 2009 Jul 8;97(1):321-9. doi: 10.1016/j.bpj.2009.04.031.

Abstract

In the photosynthetic purple bacterium Rhodobacter (Rba.) sphaeroides, light is absorbed by membrane-bound light-harvesting (LH) proteins LH1 and LH2. LH1 directly surrounds the reaction center (RC) and, together with PufX, forms a dimeric (RC-LH1-PufX)2 protein complex. In LH2-deficient Rba. sphaeroides mutants, RC-LH1-PufX dimers aggregate into tubular vesicles with a radius of approximately 250-550 A, making RC-LH1-PufX one of the few integral membrane proteins known to actively induce membrane curvature. Recently, a three-dimensional electron microscopy density map showed that the Rba. sphaeroides RC-LH1-PufX dimer exhibits a prominent bend at its dimerizing interface. To investigate the curvature properties of this highly bent protein, we employed molecular dynamics simulations to fit an all-atom structural model of the RC-LH1-PufX dimer within the electron microscopy density map. The simulations reveal how the dimer produces a membrane with high local curvature, even though the location of PufX cannot yet be determined uniquely. The resulting membrane curvature agrees well with the size of RC-LH1-PufX tubular vesicles, and demonstrates how the local curvature properties of the RC-LH1-PufX dimer propagate to form the observed long-range organization of the Rba. sphaeroides tubular vesicles.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Bacterial Proteins / chemistry*
  • Bacterial Proteins / metabolism
  • Cell Membrane / chemistry*
  • Cell Membrane / ultrastructure
  • Chromatophores / chemistry
  • Computer Simulation
  • Light-Harvesting Protein Complexes / chemistry*
  • Light-Harvesting Protein Complexes / metabolism*
  • Membrane Proteins / chemistry*
  • Membrane Proteins / metabolism
  • Microscopy, Electron
  • Models, Molecular
  • Models, Theoretical
  • Protein Multimerization
  • Rhodobacter sphaeroides / chemistry*
  • Rhodobacter sphaeroides / ultrastructure
  • Video Recording

Substances

  • Bacterial Proteins
  • Light-Harvesting Protein Complexes
  • Membrane Proteins
  • PufX protein, Rhodobacter
  • light-harvesting complex 1, Rhodospirillum