Article
Influence of key amino acid mutation on the active site structure and on folding in acetyl-CoA synthase: a theoretical perspective.
Chemical communications (Cambridge, England) - 18 May 2015
Greco Claudio, Ciancetta Antonella, Bruschi Maurizio, Kulesza Alexander, Moro Giorgio, Cosentino Ugo
Abstract excerpt
Ad hoc quantum chemical modeling of the acetyl-CoA synthase local structure and folding allowed us to identify an unprecedented coordination mode of histidine sidechain to protein-embedded metal ions.
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