Azotobacter vinelandii ferredoxin I: Aspartate-15 facilitates proton transfer to the [3Fe4S]0 cluster

1993 ◽  
Vol 51 (1-2) ◽  
pp. 48
Author(s):  
B.K. Burgess ◽  
B. Shen ◽  
L.L. Martin ◽  
J.N. Butt ◽  
F.A. Armstrong ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Azotobacter Vinelandii ◽  
Ferredoxin I

Mechanisms of redox-coupled proton transfer in proteins: The role of the proximal proline in reactions of the [3Fe4S] cluster in azotobacter vinelandii ferredoxin I

2003 ◽  
Vol 96 (1) ◽  
pp. 96
Author(s):  
Fraser A. Armstrong ◽  
Judy Hirst ◽  
Raul Camba ◽  
Barbara K. Burgess ◽  
Yean-Sung Jung ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Azotobacter Vinelandii ◽  
Ferredoxin I

scholarly journals Water-assisted Proton Transfer in Ferredoxin I

2011 ◽  
Vol 286 (27) ◽  
pp. 23679-23687 ◽  
Author(s):  
Stephan Lutz ◽  
Ivan Tubert-Brohman ◽  
Yonggang Yang ◽  
Markus Meuwly
Keyword(s):  
Proton Transfer ◽  
Azotobacter Vinelandii ◽  
Energy Difference ◽  
Umbrella Sampling ◽  
Proton Pumping ◽  
Water Molecules ◽  
Forward Reaction ◽  
Proton Relay ◽  
Proton Transfer Reactions ◽  
Ferredoxin I

The role of water molecules in assisting proton transfer (PT) is investigated for the proton-pumping protein ferredoxin I (FdI) from Azotobacter vinelandii. It was shown previously that individual water molecules can stabilize between Asp15 and the buried [3Fe-4S]0 cluster and thus can potentially act as a proton relay in transferring H+ from the protein to the μ2 sulfur atom. Here, we generalize molecular mechanics with proton transfer to studying proton transfer reactions in the condensed phase. Both umbrella sampling simulations and electronic structure calculations suggest that the PT Asp15-COOH + H2O + [3Fe-4S]0 → Asp15-COO− + H2O + [3Fe-4S]0 H+ is concerted, and no stable intermediate hydronium ion (H3O+) is expected. The free energy difference of 11.7 kcal/mol for the forward reaction is in good agreement with the experimental value (13.3 kcal/mol). For the reverse reaction (Asp15-COO− + H2O + [3Fe-4S]0H+ → Asp15-COOH + H2O + [3Fe-4S]0), a larger barrier than for the forward reaction is correctly predicted, but it is quantitatively overestimated (23.1 kcal/mol from simulations versus 14.1 from experiment). Possible reasons for this discrepancy are discussed. Compared with the water-assisted process (ΔE ≈ 10 kcal/mol), water-unassisted proton transfer yields a considerably higher barrier of ΔE ≈ 35 kcal/mol.

scholarly journals Azotobacter vinelandii ferredoxin I. Aspartate 15 facilitates proton transfer to the reduced [3Fe-4S] cluster.

1993 ◽  
Vol 268 (34) ◽  
pp. 25928-25939
Author(s):  
B Shen ◽  
L L Martin ◽  
J N Butt ◽  
F A Armstrong ◽  
C D Stout ◽  
...  
Keyword(s):  
Proton Transfer ◽  
Azotobacter Vinelandii ◽  
Ferredoxin I

Resonance Raman spectroscopy of Azotobacter vinelandii ferredoxin I

FEBS Letters ◽  
1983 ◽  
Vol 163 (2) ◽  
pp. 212-216 ◽  
Author(s):  
Marc Lutz ◽  
Jean-Marc Moulis ◽  
Jacques Meyer
Keyword(s):  
Raman Spectroscopy ◽  
Azotobacter Vinelandii ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
Ferredoxin I

scholarly journals Site-directed mutagenesis of Azotobacter vinelandii ferredoxin I: [Fe-S] cluster-driven protein rearrangement.

1990 ◽  
Vol 87 (2) ◽  
pp. 598-602 ◽  
Author(s):  
A. E. Martin ◽  
B. K. Burgess ◽  
C. D. Stout ◽  
V. L. Cash ◽  
D. R. Dean ◽  
...  
Keyword(s):  
Azotobacter Vinelandii ◽  
Site Directed Mutagenesis ◽  
Directed Mutagenesis ◽  
Ferredoxin I

Crystal structures of ferricyanide-oxidized [Fe-S] clusters in Azotobacter vinelandii ferredoxin I

1998 ◽  
Vol 3 (2) ◽  
pp. 140-149
Author(s):  
Vandana Sridhar ◽  
G. Sridhar Prasad ◽  
Barbara K. Burgess ◽  
C. D. Stout
Keyword(s):  
Crystal Structures ◽  
Azotobacter Vinelandii ◽  
Ferredoxin I

scholarly journals [4Fe-4S]-cluster-depleted Azotobacter vinelandii ferredoxin I: a new 3Fe iron-sulfur protein.

1985 ◽  
Vol 82 (17) ◽  
pp. 5661-5665 ◽  
Author(s):  
P. J. Stephens ◽  
T. V. Morgan ◽  
F. Devlin ◽  
J. E. Penner-Hahn ◽  
K. O. Hodgson ◽  
...  
Keyword(s):  
Azotobacter Vinelandii ◽  
Iron Sulfur ◽  
Sulfur Protein ◽  
Iron Sulfur Protein ◽  
Ferredoxin I
Sign in / Sign up

Export Citation Format

Share Document