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Theoretical investigation on the restoring step of the carbonic anhydrase catalytic cycle for natural and promiscuous substrates

Paolo Piazzetta - No affiliation found

2015/09/15 Full-length article DOI: 10.1016/j.abb.2015.03.022 Journal: Archives of Biochemistry and Biophysics

Abstract:

Highlights•New insights in the promiscuous catalytic activity of human carbonic anhydrase.•Steered molecular dynamics of bicarbonate and ureate products.•Relationships between substrate promiscuity and enzymatic suicide.•Computational insights on the importance of enzymatic product release.