Binding constant determination of high-affinity protein-ligand complexes by electrospray ionization mass spectrometry and ligand competition

Journal of Mass Spectrometry

Volumn 43, Issue 5, 2008, Pages 600-608

  Wortmann, Arno ^a   Jecklin, Matthias C ^a   Touboul, David ^a   Badertscher, Martin ^a   Zenobi, Renato ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Avidin; Binding constant determination; Biotin; Competitive ligand binding; Desthiobiotin; Electrospray ionization mass spectrometry; High affinity protein ligand interaction; p38 MAP kinase; SB202190; VX 745

Indexed keywords

BINDING ENERGY; COMPLEXATION; DISSOCIATION; ELECTROSPRAY IONIZATION; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; IONIZATION; MASS SPECTROMETERS; MASS SPECTROMETRY; SPECTROMETERS; SPECTROMETRY; SPECTRUM ANALYSIS;

APPLIED (CO); BINDING AFFINITIES; BINDING CONSTANTS; BOUND SPECIES; DISSOCIATION CONSTANTS; ELECTROSPRAY IONIZATION MASS SPECTROMETRY (ESI_MS); FREE LIGANDS; HIGH RESOLUTIONS; LOW-MASS; P38 MITOGEN-ACTIVATED PROTEIN KINASE (MAPK); PROTEIN TARGETING; PROTEIN-LIGAND COMPLEXES; SIGNAL INTENSITY (SI);

LIGANDS;

4 (4 FLUOROPHENYL) 2 (4 HYDROXYPHENYL) 5 (4 PYRIDYL)IMIDAZOLE; 5 (2,6 DICHLOROPHENYL) 2 (2,4 DIFLUOROPHENYLTHIO)PYRIMIDO[1,6 B]PYRIDAZIN 6 ONE; AVIDIN; BIOTIN; DETHIOBIOTIN; IMINOBIOTIN; MITOGEN ACTIVATED PROTEIN KINASE P38;

ARTICLE; BINDING AFFINITY; DISSOCIATION CONSTANT; DRUG PROTEIN BINDING; ELECTROSPRAY MASS SPECTROMETRY; LIGAND BINDING; MATHEMATICAL MODEL; MOLECULAR WEIGHT; PRIORITY JOURNAL; PROTEIN BINDING;

BINDING SITES; CHROMATOGRAPHY, AFFINITY; LIGANDS; PROTEIN BINDING; PROTEIN INTERACTION MAPPING; PROTEINS; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION;

EID: 44649201041     PISSN: 10765174     EISSN: 10969888     Source Type: Journal    
DOI: 10.1002/jms.1355     Document Type: Article

References (31)

1. Loo JA. Studying Noncovalent Protein Complexes by Electrospray Ionization Mass Spectrometry. Mass Spectrometry Reviews 1997; 16: 1.
2. Wang WJ, Kitova EN, Klassen JS. Determination of Protein-Oligosaccharide Binding by Nanoelectrospray Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry. Methods in Enzymology 2003; 362: 376.
3. Daniel JM, McCombie G, Wendt S, Zenobi R. Mass Spectrometric Determination of Association Constants of Adenylate Kinase with Two Noncovalent Inhibitors. Journal of the American Society for Mass Spectrometry 2003; 14: 442.
4. Tjernberg A, Carno S, Oliv F, Benkestock K, Edlund PO, Griffiths WJ, Hallen D. Determination of Dissociation Constants for Protein-Ligand Complexes by Electrospray Ionization Mass Spectrometry. Analytical Chemistry 2004; 76: 4325.
5. Benkestock K, Sundqvist G, Edlund PO, Roeraade J. Influence of Droplet Size, Capillary-cone Distance and Selected Instrumental Parameters for the Analysis of Noncovalent Protein-ligand Complexes by Nano-electrospray Ionization Mass Spectrometry. Journal of Mass Spectrometry 2004; 39: 1059.
6. Gabelica V, Galic N, Rosu F, Houssier C, De Pauw E. Influence of response factors on determining equilibrium association constants of non-covalent complexes by electrospray ionization mass spectrometry. Journal of Mass Spectrometry 2003; 38: 491.
7. Frego L, Gautschi E, Martin L, Davidson W. The determination of high-affinity protein/inhibitor binding constants by electrospray ionization hydrogen deuterium exchange mass spectrometry. Rapid Communications in Mass Spectrometry 2006; 20: 2478.
8. Cheng X, Chen R, Bruce JE, Schwartz BL, Anderson GA, Hofstadler SA, Gale DC, Smith RD. Using Electrospray Ionization FTICR Mass Spectrometry To Study Competitive Binding of Inhibitors to Carbonic Anhydrase. Journal of the American Chemical Society 1995; 117: 8859.
9. Jørgensen TJD, Roepstorff P, Heck AJR. Direct Determination of Solution Binding Constants for Noncovalent Complexes between Bacterial Cell Wall Peptide Analogues and Vancomycin Group Antibiotics by Electrospray Ionization Mass Spectrometry. Analytical Chemistry 1998; 70: 4427.
10. Jørgensen TJD, Staroske T, Roepstorff P, Williams DH, Heck AJR. Subtle differences in molecular recognition between modified glycopeptide antibiotics and bacterial receptor peptides identified by electrospray ionization mass spectrometry. Journal of the Chemical Society, Perkin Transactions 2 1999; 1859, DOI: 10.1039/a904504j.
11. Kempen EC, Brodbelt JS. A Method for the Determination of Binding Constants by Electrospray Ionization Mass Spectrometry. Analytical Chemistry 2000; 72: 5411.
12. Krishnaswamy SR, Williams ER, Kirsch JF. Free energies of protein-protein association determined by electrospray ionization mass spectrometry correlate accurately with values obtained by solution methods. Protein Science 2006; 15: 1465.
13. Bovet C, Wortmann A, Eiler S, Granger F, Ruff M, Gerrits B, Moras D, Zenobi R. Estrogen receptor-ligand complexes measured by chip-based nanoelectrospray mass spectrometry: An approach for the screening of endocrine disruptors. Protein Science 2007; 16: 938.
14. Wendt S, McCombie G, Daniel J, Kienhofer A, Hilvert D, Zenobi R. Quantitative Evaluation of Noncovalent Chorismate Mutase-Inhibitor Binding by ESI-MS. Journal of the American Society for Mass Spectrometry 2003; 14: 1470.
15. Green NM. Thermodynamics of the Binding of Biotin and some Analogues by Avidin. The Biochemical Journal 1966; 101: 774.
16. Green NM. Spectrophotometric Determination of Avidin and Biotin. Methods in Enzymology 1970; 18: 418.
17. Green NM. Avidin. Advances in Protein Chemistry 1975; 29: 85.
18. Fabian MA, Biggs WH, Treiber DK, Atteridge CE, Azimioara MD, Benedetti MG, Carter TA, Ciceri P, Edeen PT, Floyd M, Ford JM, Galvin M, Gerlach JL, Grotzfeld RM, Herrgard S, Insko DE, Insko MA, Lai AG, Lelias JM, Mehta SA, Milanov ZV, Velasco AM, Wodicka LM, Patel HK, Zarrinkar PP, Lockhart DJ. A small molecule-kinase interaction map for clinical kinase inhibitors. Nature Biotechnology 2005; 23: 329.
19. Frantz B, Klatt T, Pang M, Parsons J, Rolando A, Williams H, Tocci MJ, O'Keefe SJ, O'Neill EAO. The Activation State of p38 Mitogen-Activated Protein Kinase Determines the Efficiency of ATP Competition for Pyridinylimidazole Inhibitor Binding. Biochemistry 1998; 37: 13846.
20. Fitzgerald CE, Patel SB, Becker JW, Cameron PM, Zaller D, Pikounis VB, O'Keefe SJ, Scapin G. Structural basis for p38 alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity. Nature Structural Biology 2003; 10: 764.
21. Schwartz BL, Gale DC, Smith RD, Chilkoti A, Stayton PS. Investigation of Non-covalent Ligand Binding to the Intact Streptavidin Tetramer by Electrospray Ionization Mass Spectrometry. Journal of Mass Spectrometry 1995; 30: 1095.
22. Peschke M, Verkerk UH, Kebarle P. Features of the ESI Mechanism that Affect the Observation of Multiply Charged Noncovalent Protein Complexes and the Determination of the Association Constant by the Titration Method. Journal of the American Society for Mass Spectrometry 2004; 15: 1424.
23. Daubenfeld T, Bouin AP, van der Rest GA. A Deconvolution Method for the Separation of Specific Versus Nonspecific Interactions in Noncovalent Protein-Ligand Complexes Analyzed by ESI-FT-ICR Mass Spectrometry. Journal of the American Society for Mass Spectrometry 2006; 17: 1239.
24. Kraunsoe JAE, Aplin RT, Green B, Lowe G. An investigation of the binding of protein proteinase inhibitors to trypsin by electrospray ionization mass spectrometry. FEBS Letters 1996; 396: 108.
25. Jecklin MC, Touboul D, Bovet C, Wortmann A, Zenobi R. A comparison of ESI, nanoESI and ESSI for the determination of dissociation constants with mass spectrometry. Journal of the American Society for Mass Spectrometry 2008; in press.
26. Parvin L, Galicia MC, Gauntt JM, Carney LM, Nguyen AB, Park E, Heffernan L, Vertes A. Electrospray Diagnostics by Fourier Analysis of Current Oscillations and Fast Imaging. Analytical Chemistry 2005; 77: 3908.
27. Nemes P, Marginean I, Vertes A. Spraying Mode Effect on Droplet Formation and Ion Chemistry in Electrosprays. Analytical Chemistry 2007; 79: 3105.
28. Kumar S, Boehm J, Lee JC. p38 MAP kinases: key signaling molecules as therapeutic targets for inflammatory diseases. Nature Reviews Drug Discovery 2003; 2: 717.
29. de Jong LAA, Jeronimus-Stratingh CM, Cremers TIFH. Development of a multiplex non-radioactive receptor assay: the benzodiazepine receptor, the serotonin transporter and the beta-adrenergic receptor. Rapid Communications in Mass Spectrometry 2007; 21: 567.
30. Yanes O, Nazabal A, Wenzel R, Zenobi R, Aviles FX. Detection of Noncovalent Complexes in Biological Samples by Intensity Fading and High Mass Detection MALDI-TOF Mass Spectrometry. Journal of Proteome Research 2006; 5: 2711.
31. Wortmann A, Rossi F, Lelais G, Zenobi R. Determination of zinc to beta-peptide binding constants with electrospray ionization mass spectrometry. Journal of Mass Spectrometry 2005; 40: 777.