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  • Chemistry  (1)
  • Keywords:β-Elicitin  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical chemistry accounts 101 (1999), S. 159-162 
    ISSN: 1432-2234
    Keywords: Keywords:β-Elicitin ; pKa Calculations ; Continuum electrostatics ; boundary element method
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract. Elicitins are small proteins that are secreted by plant pathogenic fungi. In this work we have used a computer program that utilizes the boundary element method for heterogeneous dielectrics with ionic strength to calculate the pK a of all titrating groups in the 98-residue protein β-cryptogein. Our results are in reasonable agreement with the experimentally determined pK a values for the Tyr residues in the protein. We find that the functionally important Lys13 residue has a normal pK a of 10.3. Our work also shows that there is no direct correlation between the exposure of an amino acid sidechain and its pK a.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 30 (1992), S. 177-182 
    ISSN: 0749-1581
    Keywords: 14N and 15N NMR ; Cyclic sulfur imides ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 14N and 15N NMR spectra of natural abuadance and 15N-enriched samples of S7NH and S4(NH)4 were obtained by direct detection and by a variety of polarization transfer techniques. Sensitivity enhancements of ca 10 (compared with direct detection) for the INEPT pulse sequence and ca 100 for the HMQC (heteronuclear multiple quantum coherence) + BIRD (bilinear rotation decoupling) sequence were observed for the imides. 15N spin-lattice relaxation constants (T1) of 10.2 ± 0.1 and 12.6 ± 0.1 s were determined for S7NH and S4(NH)4, respectively. The HMQC procedure was used to obtain the 15N and 1H NMR chemical shifts and 11J(15N, 1H) values for 1,3-,1,4- and 1,5-S6(NH)2, 1,3,5- and 1,3,6-S5(NH)3. The trends in NMR chemical shifts and coupling constants are discussed in the context of the known molecular structurts of cyclic sulfur imides. The use of NMR techniques for the analysis of mixtures of cyclic sulfur imides is compared with the well established methods of infrared spectroscopy and thin-layer chromatography.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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