title: H/D exchange centroid monitoring is insufficient to show differences in the behavior of protein states.
abstract: Differential hydrogen/deuterium exchange (H/DX) coupled with mass spectrometry (H/DX-MS) offers a rapid and sensitive characterization of changes in proteins following perturbations induced by changes in folding, ligand binding, oligomerization, and modification. The characterization of H/DX rates by software tools and automated data processing often relies on the centroid mass calculation and, thereby, the deuterium distribution in the mass spectra is neglected. Here we present an example demonstrating the clear limitation of using only a centroid approach to characterize the H/DX rate, in which the change in protein is not reflected as the difference in deuterium uptake based on centroid calculation.
authors: Department of Chemistry, Washington University in St. Louis, St. Louis, MO 63130, USA.
authors: Jun
authors: J
authors: Zhang
authors: Pradeep
authors: P
authors: Ramachandran
authors: Rajiv
authors: R
authors: Kumar
authors: Michael L
authors: ML
authors: Gross
mesh_terms: D000595:Amino Acid Sequence; D041961:Deuterium Exchange Measurement / Q000379:methods; D020832:EF Hand Motifs; D007700:Kinetics; D013058:Mass Spectrometry / Q000379:methods; D008958:Models, Molecular; D010455:Peptides / Q000737:chemistry*; D011487:Protein Conformation; D012097:Repressor Proteins / Q000737:chemistry*
chemical_list: D010455:Peptides; D012097:Repressor Proteins
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