ISSN:
1432-2234
Keywords:
Carbonic anhydrase (CA)
;
HCO 3 − /H2O exchange
;
Continuum model
;
Environmental effects
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary The displacement of bicarbonate anion in the (NH3)3ZnII(HCO 3 − ) complex with water has been studied throughab initio calculations. It has been found that H2O binds to the (NH3)3ZnII(HCO 3 − ) species yielding a stable pentacoordinate (NH3)3ZnII(HCO 3 − )(H2O) complex. The results also indicate that deprotonation of water in the pentacoordinate species facilitates the release of HCO 3 − , although, the presence of HCO 3 − in the coordination sphere of ZnII makes such deprotonation more difficult. Environmental effects have been considered in the study of HCO 3 − /H2O exchange.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01133079
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