The pathway for serial proton supply to the active site of nitrogenase: enhanced density functional modeling of the Grotthuss mechanism
Author:
Affiliation:
1. School of Chemistry
2. UNSW Australia
3. Sydney 2052
4. Australia
Abstract
Proton translocation along a chain of eight waters to the active site of nitrogenase is described in detail, using density functional simulations with a 269 atom system that includes surrounding amino acids.
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/DT/C5DT03223G
Reference104 articles.
1. NITROGENASE STRUCTURE AND FUNCTION: A Biochemical-Genetic Perspective
2. Mechanism of Molybdenum Nitrogenase
3. Structural Basis of Biological Nitrogen Fixation
4. MECHANISTIC FEATURES OF THE MO-CONTAINING NITROGENASE
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