The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter pylori and Penicillium vitale Catalases Determined by X-ray Crystallography and QM/MM Density Functional Theory Calculations.

The structures of Helicobacter pylori (HPC) and Penicillium vitale (PVC) catalases, each with two subunits in the crystal asymmetric unit, oxidized with peroxoacetic acid are reported at 1.8 and 1.7 Å resolution, respectively. Despite the similar oxidation conditions employed, the iron-oxygen coordi...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 129; no. 14; pp. 4193 - 4206
Main Authors:	Alfonso-Prieto, Mercedes, Borovik, Anton, Carpena, Xavier, Murshudov, Garib, Melik-Adamyan, William, Fita, Ignacio, Rovira, Carme, Loewen, Peter C.
Format:	Article
Published:	American Chemical Society 4/11/2007
Subjects:	Electronic structure Helicobacter pylori Penicillium Quantum theory X-ray crystallography Density functionals Physical vapor deposition
Online Access:	View this record in EBSCOhost