Is an electronic shield at the molecular origin of lead poisoning? A computational modeling experiment

被引：40

作者：

Gourlaouen, Christophe ^{[1
]}

Parisel, Olivier ^{[1
]}

机构：

[1] Univ Paris 06, CNRS, Chim Theor Lab, UMR 7616,UPMC, F-75252 Paris 05, France

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2007年 / 46卷 / 04期

关键词：

calmodulin; density functional calculations; ELF (electron localization function); proteins; saturnism;

D O I：

10.1002/anie.200603037

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) Chop and change: Upon substitution of native Zn 2+ by exogenous Pb2+ ions in a model of δ-aminolevulinic acid dehydratase, a dramatic change occurs in the topology of the electron localization function at the active site of the protein. This effect is expected to disrupt the natural function of the metalated domain. © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：553 / 556

页数：4

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