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The effects of solution additives and gas-phase modifiers on the molecular environment and conformational space of common heme proteins.

David ButcherJaroslava MiksovskaMark E RidgewayMelvin A ParkFrancisco Fernandez Lima
Published in: Rapid communications in mass spectrometry : RCM (2019)
We attribute the observed changes in the mobility profiles in the presence of gas-phase modifiers to a clustering/declustering mechanism by which organic molecules adsorb to the protein ion surface and lower energetic barriers for interconversion between conformational states, thus redefining the free energy landscape and equilibria between conformers. These structural biology experiments open new avenues for manipulation and interrogation of biomolecules in the gas phase with the potential to emulate a large suite of solution conditions, ultimately including conditions that more accurately reflect a variety of intracellular environments.
Keyphrases
  • single molecule
  • molecular dynamics
  • molecular dynamics simulations
  • single cell
  • minimally invasive
  • reactive oxygen species
  • human health
  • risk assessment