Article
Theoretical investigations on Azotobacter vinelandii ferredoxin I: effects of electron transfer on protein dynamics.
Biophysical journal - 1 Apr 2004
Meuwly Markus, Karplus Martin
Abstract excerpt
Structural, energetic, and dynamical studies of Azotobacter vinelandii ferredoxin I are presented for native and mutant forms. The protein contains two iron-sulfur clusters, one of which ([3Fe-4S]) is believed to play a central role in the electron-coupled proton transfer. Different charge sets for the [3Fe-4S] cluster in its reduced and oxidized state are calculated with broken symmetry ab initio density...
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