Molecular Mechanics Evaluation of the Proposed Mechanisms for the Degradation of Urea by Urease

  title={Molecular Mechanics Evaluation of the Proposed Mechanisms for the Degradation of Urea by Urease},
  author={Marc Zimmer},
  journal={Journal of Biomolecular Structure and Dynamics},
  pages={787 - 797}
  • M. Zimmer
  • Published 1 April 2000
  • Chemistry
  • Journal of Biomolecular Structure and Dynamics
Abstract A thorough conformational search of all the conformations available to oxygen-bound urea within wild-type urease was carried out. Identical low energy urea conformations were obtained by a Ramachandran type plot for the NHis272-Ni1-O-Curea and Ni1-O-Curea-Nurea dihedral angles. Ramachandran plots, with active sites and protonation states modified to model the different urease mechanisms, were used to evaluate the different mechanisms. Based upon the low energy conformations available… 
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