Theoretical Studies of Nickel-Dependent Enzymes

Autor:	Per E. M. Siegbahn, Shi-Lu Chen, Rong-Zhen Liao
Jazyk:	angličtina
Rok vydání:	2019
Předmět:	nickel enzymes reaction mechanism quantum chemical calculations Inorganic chemistry QD146-197
Zdroj:	Inorganics, Vol 7, Iss 8, p 95 (2019)
Druh dokumentu:	article
ISSN:	2304-6740 88166481
DOI:	10.3390/inorganics7080095
Popis:	The advancements of quantum chemical methods and computer power allow detailed mechanistic investigations of metalloenzymes. In particular, both quantum chemical cluster and combined QM/MM approaches have been used, which have been proven to successfully complement experimental studies. This review starts with a brief introduction of nickel-dependent enzymes and then summarizes theoretical studies on the reaction mechanisms of these enzymes, including NiFe hydrogenase, methyl-coenzyme M reductase, nickel CO dehydrogenase, acetyl CoA synthase, acireductone dioxygenase, quercetin 2,4-dioxygenase, urease, lactate racemase, and superoxide dismutase.
Databáze:	Directory of Open Access Journals
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