Abstract
The catalytic activity of the enzyme carbonic anhydrase has been studied by statistical and quantum mechanical methods. The coordination number for the zinc ion in the active site has been found to be five, three histidine residues and two water molecules, with another water molecule very close to the first solvation sphere. The zinc hydroxide mechanism for the enzymatic reaction is supported by the results obtained from a quantum mechanical study of the reaction 0H- + CO2 ⇄ HCO -3 , indicating that the specific solvation in the active cleft of carbonic anhydrase may be the clue to the catalytic activity.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
S. Lindskog, L.E. Henderson, K.K. Kannan, A. Liljas, P.O. Nyman and B. Strandberg, 1971, Enzymes, 5, pp. 587.
K.K. Kannan, B. Notstrand, K. Fridborg, S. Lovgren, A. Ohlsson and M. Petef, 1975, Proc.Natl.Acad.Sci. USA, 72, pp. 51.
J.E. Coleman, 1976, J.Biol.Chem., 242, pp. 5212.
R.G. Khalifah, 1971, J.Biol.Chem., 246, pp. 2561.
B. Jonsson, G. Karlstrom and H. Wennerstrom, 1975, Chem.Phys. Letters, 30, pp. 58.
B. Jonsson and B. Nelander, Chem.Phys., 1977, 25, pp. 263.
B. Jonsson, G. Karlstrom, H. Wennerstrom and B. Roos, 1976, Chem.Phys. Letters, 41, pp. 317.
B. Jonsson, G. Karlstrom, H. Wennerstrom, S. Forsen, B. Roos and J. Almlof, 1977, J.Am.Chem.Soc., 99, pp. 4628.
B. Jonsson, G. Karlstrom and H. Wennerstrom, 1978, J.Am.Chem. Soc., 100, pp. 1658.
E. Clementi, G. Corongiu, B. Jonsson and S. Romano; Monte Carlo simulation of the water structure around Zn++. To be published.
B. Jonsson and H. Wennerstrom, 1978, Biophys.Chem., 7, pp. 285.
E. Clementi, G. Corongiu, B. Jonsson and S. Romano, FEBS Letters, in press.
S.H. Koenig and R.D. Brown, 1973, Biochim.Biophys.Res.Commun., 53, pp. 624.
R.G. Khalifah, 1973, Proc.Nat1.Acad.Sci. US, 70, pp. 1986.
S. Lindskog and J.E. Coleman, 1973, Proc.Natl.Acad.Sci. USA, 70, pp. 2505.
M. v. Smulochowski, 1917, Z.Physik.Chem., 92, pp. 129.
B-H. Jonsson, H. Steiner and S. Lindskog, 1976, FEBS Letters, 64, pp. 310.
Gmelin, 1956, “Handbuch der anorganischen Chemie”, 8 auflage, 32, pp. 720.
H. Ohtaki, T. Yamaguchi and M. Maeda, 1977, Essays Anal.Chem., pp. 163.
O. Matsouka, E. Clementi and M. Yoshimine, 1976, J.Chem.Phys., 64, pp. 1351. H2O-H2O interaction potential.
E. Clementi, F. Cavallone and R. Scordamaglia, 1977, J.Am.Chem. Soc,. 99, pp. 5531; G. Bolis and E. Clementi, 1977 ibid, 99, pp. 5550; G. Ranghino and E. Clementi, to be published. H20-amino acid potentials.
G.C. Lie, E. Clementi and M. Yoshimine, 1976, J.Chem.Phys., 64, pp. 2314.
P. Woolley, 1975, Nature, 258, pp. 677.
B.R.W. Pinsent, L. Pearson and F.J.W. Roughton, 1956, Trans. Faraday Soc., 52, pp. 1512.
C.P. Baskin, C.F. Bender, C.W. Bauschlicher Jr and H.F. Schaefer III, 1974, J.Am.Chem. Soc., 96, pp. 2709.
E. Magid and B.O. Turbeck, 1968, Biochim.Biophys. Acta, 165, pp. 515.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1979 D. Reidel Publishing Company
About this paper
Cite this paper
Jönsson, B. (1979). The Mechanism of Carbonic Anhydrase — A Solvation Problem?. In: Pullman, B. (eds) Catalysis in Chemistry and Biochemistry Theory and Experiment. The Jerusalem Symposia on Quantum Chemistry and Biochemistry, vol 12. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-9513-0_6
Download citation
DOI: https://doi.org/10.1007/978-94-009-9513-0_6
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-009-9515-4
Online ISBN: 978-94-009-9513-0
eBook Packages: Springer Book Archive