The influence of proton transfer on the metalsubstrate interaction in the active sites of zinc dependent enzymes

Molecular-orbital calculations of model Zn 2+ complexes for the state of this metal ion in the active sites of enzymes are presented. The interaction of Zn 2+ with H 2O and H 2CO molecules has been examined. Proton transfer from the coordinated His residue to the carboxyl groups of Asp or Glu is sho...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 1990, Vol.205, p.113-118
Main Author: Voityuk, A.A.
Format: Article
Language:English
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Summary:Molecular-orbital calculations of model Zn 2+ complexes for the state of this metal ion in the active sites of enzymes are presented. The interaction of Zn 2+ with H 2O and H 2CO molecules has been examined. Proton transfer from the coordinated His residue to the carboxyl groups of Asp or Glu is shown to reduce considerably the bond strength between Zn 2+ and the substrate and to affect the reactivity of ligands.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(90)85111-Y