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Comparable Structural Stabilities of Penta- and Hexa-coordinate Zn(II) in a Simple Model System of the Active Site of Carboxypeptidase A
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 Title & Authors
Comparable Structural Stabilities of Penta- and Hexa-coordinate Zn(II) in a Simple Model System of the Active Site of Carboxypeptidase A
Sik Lee; Seung Joo Cho; Jong Keun Park; Hag-Sung Kim; Kim Kwang S.;
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 Abstract
Ab initio studies of simple model systems for the carboxypeptidase A active site indicate that penta-and hexa-coordinate Zn(II) complexes have comparable structural stabilities. These facile coordination structures can be responsible for the catalytic role. Although the hexa-coordinate Zn(II) complex is more stable in enthalpy than the penta-coordinate Zn(II) complex, the entropy effect makes the latter as stable as or slightly more stable in free energy than the former.
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