Centre for Research on Biomolecular Interactions presents Prof. Lars Konermann, Department of Chemistry, The University of Western Ontario, London

Talk Title: "A Journey Through Protein Mass Spectrometry: From Computer Simulations of Fundamental Processes to Enzyme Mechanisms"

Abstract: Electrospray ionization (ESI) allows the production of desolvated ions from proteins and protein complexes in solution. Analysis of these gaseous biomolecules by mass spectrometry reveals the nature of protein interaction partners. Ion mobility spectrometry and various dissociation experiments provide additional insights. This presentation will focus on two research directions that are being pursued in the Konermann laboratory. At the very “fundamental” end of the spectrum, we conduct experiments and molecular dynamics simulations to uncover the ESI mechanism, and for understanding how proteins respond to the transition from solution into the gas phase. Our work also has a more “applied” side, where hydrogen/deuterium exchange techniques are being used to decipher the inner workings of proteins in solution. As an example, we will highlight recent experiments on ATP synthase, the world’s smallest rotational motor, as well as studies on the relationship between enzyme function and dynamics.

Selected Publications:
1. "Load-dependent destabilization of the γ-rotor shaft in FOF1 ATP synthase revealed by H/D-exchange mass spectrometry" S. Vahidi, Y. Bi, S. D. Dunn, and L. Konermann PNAS 113, 2412 (2016).
2. "Evidence for Allosteric Enzyme Regulation via Changes in Conformational Dynamics: An H/D Exchange Investigation of Dihydrodipicolinate Synthase" M. A. Sowole, S. Simpson, Y. V. Skovpen, D. R. J. Palmer, and L. Konermann Biochemistry 55, 5413 (2016).
3. "Collision-Induced Dissociation of Electrosprayed Protein Complexes: An All-Atom Molecular Dynamics Model with Mobile Protons" V. Popa, D. Trecroce, R. G. McAllister, and L. Konermann J. Phys. Chem. B, 120 5114 (2016).
4. "Mechanism of Protein Supercharging by Sulfolane and m-NBA: Molecular Dynamics Simulations of the Electrospray Process" H. Metwally, R. G. McAllister, V. Popa, and L. Konermann Anal. Chem. 88, 5345 (2016).
5. "Release of Native-Like Gaseous Proteins from Electrospray Droplets via The Charged Residue Mechanism: Insights from Molecular Dynamics Simulations" R. G. McAllister, H. Metwally, Y. Sun, and L. Konermann JACS 137, 12667 (2015).

Please join us,

Refreshments will be served.