ISSN:
0947-6539
Keywords:
enzyme models
;
iron complexes
;
molybdenum complexes
;
nitro genase
;
semi-empirical calculations
;
Chemistry
;
General Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A model for the active site of nitrogenase is suggested and examined by means of the intermediate neglect of differential overlap (INDO) quantum mechanical method. The initial steps of the nitrogen fixation process are discussed within the framework of the present model, and it is shown that of several binding sites, initial location of the nitrogen molecule inside the MoFe cofactor is favored. Possible pathways for electron and proton delivery to the active site are also suggested on the basis of electrostatic potential calculations.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/chem.19960020115
