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Volumn 129, Issue 14, 2007, Pages 4240-4252

The catalytic Mn2+ sites in the enolase-inhibitor complex: Crystallography, single-crystal EPR, and DFT calculations

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPLEXATION; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ENZYME INHIBITION; PARAMAGNETIC RESONANCE; SINGLE CRYSTALS;

EID: 34247103245     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja066124e     Document Type: Article
Times cited : (23)

References (63)
  • 2
    • 0034639915 scopus 로고    scopus 로고
    • Manikandan, P.; Carmieli, R.; Shane, T.; Kalb (Gilboa), A. J.; Goldfarb, D. J. Am. Chem. Soc. 2000, 122, 3488-3494.
    • Manikandan, P.; Carmieli, R.; Shane, T.; Kalb (Gilboa), A. J.; Goldfarb, D. J. Am. Chem. Soc. 2000, 122, 3488-3494.
  • 4
    • 0038338712 scopus 로고    scopus 로고
    • Carmieli, R.; Manikandan, P.; Epel, B.; Kalb (Gilboa), A. J.; Schnegg, A.; Savitsky, A.; Mobius, K.; Goldfarb, D. Biochemistry 2003, 42, 7863-7870.
    • Carmieli, R.; Manikandan, P.; Epel, B.; Kalb (Gilboa), A. J.; Schnegg, A.; Savitsky, A.; Mobius, K.; Goldfarb, D. Biochemistry 2003, 42, 7863-7870.
  • 8
  • 12
    • 33645889032 scopus 로고    scopus 로고
    • Neese, F. J. Inorg. Biochem. 2006, 100, 716-726. Special issue on high-valent Fe(IV).
    • Neese, F. J. Inorg. Biochem. 2006, 100, 716-726. Special issue on high-valent Fe(IV).
  • 15
    • 34247153477 scopus 로고    scopus 로고
    • Kalb (Gilboa), A. J.; Habash, J.; Hunter, N. S.; Price, H. J.; Raftery, J.; Helliwell, J. R. In Metal Ions in Biological Systems; Sigel, A., Sigel, H., Eds.; Marcel Dekker Inc.: New York, 2000; 3.
    • Kalb (Gilboa), A. J.; Habash, J.; Hunter, N. S.; Price, H. J.; Raftery, J.; Helliwell, J. R. In Metal Ions in Biological Systems; Sigel, A., Sigel, H., Eds.; Marcel Dekker Inc.: New York, 2000; Vol. 3.
  • 16
    • 33751163048 scopus 로고    scopus 로고
    • Deacon, A.; Gleichmann, T.; Kalb (Gilboa), A. J. J. Chem. Soc., Dalton Trans. 1997, 93, 4305-4312.
    • Deacon, A.; Gleichmann, T.; Kalb (Gilboa), A. J. J. Chem. Soc., Dalton Trans. 1997, 93, 4305-4312.
  • 37
    • 34247130931 scopus 로고    scopus 로고
    • The program was written by Ricardo Blank and is described in: Carmieli, R. Study of Metal Binding Sites in Metalloproteins and Peptide-Membrane Interactions by Advanced EPR Spectrscopy. Ph.D. Thesis, Weizmann Institute of Science, Israel, 2005.
    • The program was written by Ricardo Blank and is described in: Carmieli, R. Study of Metal Binding Sites in Metalloproteins and Peptide-Membrane Interactions by Advanced EPR Spectrscopy. Ph.D. Thesis, Weizmann Institute of Science, Israel, 2005.
  • 38
    • 34247153965 scopus 로고    scopus 로고
    • Frisch, M. J.; et al. Gaussian 03, revision B.04; Gaussian, Inc.: Wallingford, CT, 2004.
    • Frisch, M. J.; et al. Gaussian 03, revision B.04; Gaussian, Inc.: Wallingford, CT, 2004.
  • 46
    • 34247154421 scopus 로고    scopus 로고
    • Neese, F. ORCA, version 2.5.00; Universität Bonn: Bonn, Germany. The program is available free of charge at
    • Neese, F. ORCA, version 2.5.00; Universität Bonn: Bonn, Germany. The program is available free of charge at http://www.thch.uni-bonn.de/ tc/orca.
  • 47
    • 0037179981 scopus 로고    scopus 로고
    • Neese, F. Inorg. Chim. Acta 2002, 337, 181-192. The CP(PPP) basis is a minor modification of the double-ζ basis set developed by Ahlrichs and co-workers, which was obtained from the TurboMole library at ftp.chemie.uni-karlsruhe.de/pub/basen' (2002).
    • Neese, F. Inorg. Chim. Acta 2002, 337, 181-192. The CP(PPP) basis is a minor modification of the double-ζ basis set developed by Ahlrichs and co-workers, which was obtained from the TurboMole library at ftp.chemie.uni-karlsruhe.de/pub/basen' (2002).
  • 55
    • 20844452286 scopus 로고    scopus 로고
    • The Implementation is described in Neese, F.; Wolf, A.; Fleig, T.; Reiher, M.; Hess, B. A. J. Chem. Phys. 2005, 122, 204107-1-204107-10,
    • The Implementation is described in Neese, F.; Wolf, A.; Fleig, T.; Reiher, M.; Hess, B. A. J. Chem. Phys. 2005, 122, 204107-1-204107-10,
  • 56
    • 0034634787 scopus 로고    scopus 로고
    • while the identical equation has previously been derived in Berning, A.; Schweizer, M.; Werner, H. J.; Knowles, P. J.; Palmieri, P. Mol. Phys. 2000, 98, 1823-1833.
    • while the identical equation has previously been derived in Berning, A.; Schweizer, M.; Werner, H. J.; Knowles, P. J.; Palmieri, P. Mol. Phys. 2000, 98, 1823-1833.


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