Water Complexes of Cytochrome P450: Insights from Energy Decomposition Analysis

Water is a small molecule that nevertheless perturbs, sometimes significantly, the electronic properties of an enzyme’s active site. In this study, interactions of a water molecule with the ferric heme and the compound I (Cpd I) intermediate of cytochrome P450 are studied. Energy decomposition analy...

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Bibliographic Details
Main Authors: Hajime Hirao, Nandun Thellamurege
Format: Article
Language:English
Published: MDPI AG 2013-06-01
Series:Molecules
Subjects:
EDA
Online Access:http://www.mdpi.com/1420-3049/18/6/6782