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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 15, Number 9
BKCSDE 15(9)
September 20, 1994 

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, Kwang S. Kim*
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.
774 - 776
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