P450 Enzymes: Their Structure, Reactivity, and SelectivityModeled by QM/MM Calculations

The selectivity, reactivity and structure of the enzyme cytochrome P450 is explored. Using quantum mechanics and molecular mechanics, insights into how the enzyme's spin states contribute to chemical reactions are discovered.

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Bibliographic Details
Published inChemical reviews Vol. 110; no. 2; pp. 949 - 1017
Main Authors Shaik, Sason, Cohen, Shimrit, Wang, Yong, Chen, Hui, Kumar, Devesh, Thiel, Walter
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 10.02.2010
Subjects
Biocatalysis
Biochemistry
Chemical reactions
Cytochrome P-450 Enzyme System - chemistry
Cytochrome P-450 Enzyme System - metabolism
Enzymes
Models, Molecular
Molecular physics
Oxidation-Reduction
Protein Isoforms - chemistry
Protein Isoforms - metabolism
Protons
Quantum physics
Quantum Theory
Static Electricity
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Summary:The selectivity, reactivity and structure of the enzyme cytochrome P450 is explored. Using quantum mechanics and molecular mechanics, insights into how the enzyme's spin states contribute to chemical reactions are discovered.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-3
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ObjectType-Review-1
ISSN:0009-2665
1520-6890
DOI:10.1021/cr900121s