A Mechanism for Nitrogenase Including Loss of a Sulfide.

ABSTRACT: Nitrogenase is the only enzyme in nature that can fix N₂ from the air. The active cofactor of the leading form of this enzyme contains seven irons and one molybdenum connected by sulfide bridges. In several recent experimental studies, it has been suggested that the cofactor is very flexible, and might lose one of its sulfides during catalysis. In this study, the possible loss of a sulfide has been investigated by model calculations. In previous studies, we have shown that there should be four activation steps before catalysis starts, and this study is based on that finding. It was found here that, after the four reductions in the activation steps, a sulfide will become very loosely bound and can be released in a quite exergonic step with a low barrier. The binding of N₂

SUBMITTER: Wei WJ 

PROVIDER: S-EPMC9303661 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature