Article
Structural characterization of CO-inhibited Mo-nitrogenase by combined application of nuclear resonance vibrational spectroscopy, extended X-ray absorption fine structure, and density functional theory: new insights into the effects of CO binding and the role of the interstitial atom.
Journal of the American Chemical Society - 12 Nov 2014
Scott Aubrey D, Pelmenschikov Vladimir, Guo Yisong, Yan Lifen, Wang Hongxin, George Simon J, Dapper Christie H, Newton William E, Yoda Yoshitaka, Tanaka Yoshihito, Cramer Stephen P
Abstract excerpt
The properties of CO-inhibited Azotobacter vinelandii (Av) Mo-nitrogenase (N2ase) have been examined by the combined application of nuclear resonance vibrational spectroscopy (NRVS), extended X-ray absorption fine structure (EXAFS), and density functional theory (DFT). Dramatic changes in the NRVS are seen under high-CO conditions, especially in a 188 cm(-1) mode associated with symmetric breathing of the central...
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