Spatially resolved protein hydrogen exchange measured by subzero-cooled chip-based nanoelectrospray ionization tandem mass spectrometry

Anal Chem. 2012 May 15;84(10):4467-73. doi: 10.1021/ac300268r. Epub 2012 Apr 26.

Abstract

Mass spectrometry has become a valuable method for studying structural dynamics of proteins in solution by measuring their backbone amide hydrogen/deuterium exchange (HDX) kinetics. In a typical exchange experiment one or more proteins are incubated in deuterated buffer at physiological conditions. After a given period of deuteration, the exchange reaction is quenched by acidification (pH 2.5) and cooling (0 °C) and the deuterated protein (or a digest thereof) is analyzed by mass spectrometry. The unavoidable loss of deuterium (back-exchange) that occurs under quench conditions is undesired as it leads to loss of information. Here we describe the successful application of a chip-based nanoelectrospray ionization mass spectrometry top-down fragmentation approach based on cooling to subzero temperature (-15 °C) which reduces the back-exchange at quench conditions to very low levels. For example, only 4% and 6% deuterium loss for fully deuterated ubiquitin and β(2)-microglobulin were observed after 10 min of back-exchange. The practical value of our subzero-cooled setup for top-down fragmentation HDX analyses is demonstrated by electron-transfer dissociation of ubiquitin ions under carefully optimized mass spectrometric conditions where gas-phase hydrogen scrambling is negligible. Our results show that the known dynamic behavior of ubiquitin in solution is accurately reflected in the deuterium contents of the fragment ions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chemistry Techniques, Analytical*
  • Deuterium / chemistry
  • Deuterium Exchange Measurement
  • Hydrogen / chemistry*
  • Hydrogen-Ion Concentration
  • Nanotechnology
  • Proteins / chemistry*
  • Tandem Mass Spectrometry*
  • Temperature
  • Ubiquitin / chemistry
  • beta 2-Microglobulin / chemistry

Substances

  • Proteins
  • Ubiquitin
  • beta 2-Microglobulin
  • Hydrogen
  • Deuterium