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Updated: Aug 19, 2026

Modeling an Enzyme Active Site using Molecular Visualization Freeware
Published on: December 25, 2021
Metalloporphyrines as active site analogues--lessons from enzymes and enzyme models
1Department of Chemistry, University of Basel, St. Johanns-Ring 19, CH-4056 Basel, Switzerland.
Abstract:
Research at the interface of enzyme chemistry and organic chemistry of metal complexes is particularly rewarding employing metal porphyrins as cofactor surrogates. Three examples are discussed: active site analogues of cytochrome P450 and chloroperoxidase (CPO), both heme-thiolate proteins, and enzyme models of beta-carotene monooxygenase, a non-heme iron protein. In all cases, catalytically active synthetic systems could be established displaying chemical reactivity close to the native proteins. Further, it is demonstrated that enzymatic reaction mechanisms can be elucidated by means of active site analogues (CPO) and information can be obtained from enzyme models that is useful to explain certain aspects of Nature's sophisticated approach to develop very efficient catalysts.
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