DOI QR코드

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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

  • Sik Lee (Center for Biofunctional Molecules and Department of Chemistry, Pohang University of Science and Technology) ;
  • Seung Joo Cho (Center for Biofunctional Molecules and Department of Chemistry, Pohang University of Science and Technology) ;
  • Jong Keun Park (Center for Biofunctional Molecules and Department of Chemistry, Pohang University of Science and Technology) ;
  • Hag-Sung Kim (Center for Biofunctional Molecules and Department of Chemistry, Pohang University of Science and Technology) ;
  • Kim Kwang S. (Center for Biofunctional Molecules and Department of Chemistry, Pohang University of Science and Technology)
  • 발행 : 1994.09.20

초록

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.

키워드

참고문헌

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피인용 문헌

  1. From Gas Phase Clusters to Nanomaterials: An Overview of Theoretical Insights vol.24, pp.6, 1994, https://doi.org/10.5012/bkcs.2003.24.6.757
  2. Thermodynamics of Small Electron-Bound Water Clusters vol.24, pp.6, 2003, https://doi.org/10.5012/bkcs.2003.24.6.802