NDLI: Improved Accuracy of Low Affinity Protein–Ligand Equilibrium Dissociation Constants Directly Determined by Electrospray Ionization Mass Spectrometry

Content Provider	Springer Nature Link
Author	Jaquillard, Lucie Saab, Fabienne Schoentgen, Françoise Cadene, Martine
Copyright Year	2012
Abstract	There is continued interest in the determination by ESI-MS of equilibrium dissociation constants (K$_{D}$) that accurately reflect the affinity of a protein–ligand complex in solution. Issues in the measurement of K$_{D}$ are compounded in the case of low affinity complexes. Here we present a K$_{D}$ measurement method and corresponding mathematical model dealing with both gas-phase dissociation (GPD) and aggregation. To this end, a rational mathematical correction of GPD (f$_{sat}$) is combined with the development of an experimental protocol to deal with gas-phase aggregation. A guide to apply the method to noncovalent protein–ligand systems according to their kinetic behavior is provided. The approach is validated by comparing the K$_{D}$ values determined by this method with in-solution K$_{D}$ literature values. The influence of the type of molecular interactions and instrumental setup on f$_{sat}$ is examined as a first step towards a fine dissection of factors affecting GPD. The method can be reliably applied to a wide array of low affinity systems without the need for a reference ligand or protein.
Starting Page	908
Ending Page	922
Page Count	15
File Format	PDF
ISSN	10440305
Journal	Journal of The American Society for Mass Spectrometry
Volume Number	23
Issue Number	5
e-ISSN	18791123
Language	English
Publisher	Springer-Verlag
Publisher Date	2012-03-20
Publisher Institution	The American Society for Mass Spectrometry
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Accuracy Equilibrium dissociation constant KD Gas phase dissociation Aggregation ESI Model Low affinity Interaction Protein-ligand Mass spectrometry Organic Chemistry Biotechnology Proteomics Analytical Chemistry Bioinformatics
Content Type	Text
Resource Type	Article
Subject	Spectroscopy Structural Biology

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Improved Accuracy of Low Affinity Protein–Ligand Equilibrium Dissociation Constants Directly Determined by Electrospray Ionization Mass Spectrometry

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