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Title: 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

Abstract

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 cage of the FeMo-cofactor. Similar changes are reproduced with the α-H195Q N2ase variant. In the frequency region above 450 cm–1, additional features are seen that are assigned to Fe-CO bending and stretching modes (confirmed by 13CO isotope shifts). The EXAFS for wild-type N2ase shows evidence for a significant cluster distortion under high-CO conditions, most dramatically in the splitting of the interaction between Mo and the shell of Fe atoms originally at 5.08 Å in the resting enzyme. A DFT model with both a terminal ₋CO and a partially reduced ₋CHO ligand bound to adjacent Fe sites is consistent with both earlier FT-IR experiments, and the present EXAFS and NRVS observations for the wild-type enzyme. Another DFT model with two terminal CO ligands on the adjacent Fe atoms yields Fe-CO bands consistent with the α-H195Q variant NRVS. The calculations also shed light on the vibrationalmore » “shake” modes of the interstitial atom inside the central cage, and their interaction with the Fe-CO modes. We discuss implications for the CO and N2 reactivity of N2ase.« less

Authors:
 [1];  [2];  [3];  [1];  [4];  [1];  [5];  [5];  [6];  [7];  [4]
+ Show Author Affiliations
  1. Department of Chemistry, University of California, Davis, California 95616, United States
  2. Institut für Chemie, Technische Universität Berlin, 10623 Berlin, Germany
  3. Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States
  4. Department of Chemistry, University of California, Davis, California 95616, United States, Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
  5. Department of Biochemistry, Virginia Polytechnic Institute & State University, Blacksburg, Virginia 24061, United States
  6. Research and Utilization Division, SPring-8/JASRI, 1-1-1 Kouto, Sayo, Hyogo 679-5198, Japan
  7. SR Materials Science Instrumentation Unit, RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo, Hyogo 679-5148, Japan
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER)
OSTI Identifier:
1163247
Alternate Identifier(s):
OSTI ID: 1257353
Grant/Contract Number:  
CHE 1308384; GM-65440
Resource Type:
Published Article
Journal Name:
Journal of the American Chemical Society
Additional Journal Information:
Journal Name: Journal of the American Chemical Society Journal Volume: 136 Journal Issue: 45; Journal ID: ISSN 0002-7863
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY

Citation Formats

Scott, Aubrey D., Pelmenschikov, Vladimir, Guo, Yisong, Yan, Lifen, Wang, Hongxin, George, Simon J., Dapper, Christie H., Newton, William E., Yoda, Yoshitaka, Tanaka, Yoshihito, and Cramer, Stephen P. 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. United States: N. p., 2014. Web. doi:10.1021/ja505720m.
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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. 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. United States. https://doi.org/10.1021/ja505720m
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Scott, Aubrey D., Pelmenschikov, Vladimir, Guo, Yisong, Yan, Lifen, Wang, Hongxin, George, Simon J., Dapper, Christie H., Newton, William E., Yoda, Yoshitaka, Tanaka, Yoshihito, and Cramer, Stephen P. Mon . "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". United States. https://doi.org/10.1021/ja505720m.
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@article{osti_1163247,
title = {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},
author = {Scott, Aubrey D. and Pelmenschikov, Vladimir and Guo, Yisong and Yan, Lifen and Wang, Hongxin and George, Simon J. and Dapper, Christie H. and Newton, William E. and Yoda, Yoshitaka and Tanaka, Yoshihito and Cramer, Stephen P.},
abstractNote = {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 cage of the FeMo-cofactor. Similar changes are reproduced with the α-H195Q N2ase variant. In the frequency region above 450 cm–1, additional features are seen that are assigned to Fe-CO bending and stretching modes (confirmed by 13CO isotope shifts). The EXAFS for wild-type N2ase shows evidence for a significant cluster distortion under high-CO conditions, most dramatically in the splitting of the interaction between Mo and the shell of Fe atoms originally at 5.08 Å in the resting enzyme. A DFT model with both a terminal ₋CO and a partially reduced ₋CHO ligand bound to adjacent Fe sites is consistent with both earlier FT-IR experiments, and the present EXAFS and NRVS observations for the wild-type enzyme. Another DFT model with two terminal CO ligands on the adjacent Fe atoms yields Fe-CO bands consistent with the α-H195Q variant NRVS. The calculations also shed light on the vibrational “shake” modes of the interstitial atom inside the central cage, and their interaction with the Fe-CO modes. We discuss implications for the CO and N2 reactivity of N2ase.},
doi = {10.1021/ja505720m},
journal = {Journal of the American Chemical Society},
number = 45,
volume = 136,
place = {United States},
year = {Mon Nov 03 00:00:00 EST 2014},
month = {Mon Nov 03 00:00:00 EST 2014}
}
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Works referenced in this record:

Observation of the FeCN and FeCO Vibrations in the Active Site of [NiFe] Hydrogenase by Nuclear Resonance Vibrational Spectroscopy
journal, November 2012

  • Kamali, Saeed; Wang, Hongxin; Mitra, Devrani
  • Angewandte Chemie International Edition, Vol. 52, Issue 2
  • DOI: 10.1002/anie.201204616

Investigation of CO bound to inhibited forms of nitrogenase MoFe protein by 13C ENDOR
journal, August 1995

  • Pollock, Robert C.; Lee, Hong-In; Cameron, Linda M.
  • Journal of the American Chemical Society, Vol. 117, Issue 33
  • DOI: 10.1021/ja00138a033

Nitrogenase MoFe-Protein at 1.16 A Resolution: A Central Ligand in the FeMo-Cofactor
journal, September 2002

Ligand-Bound S = 1 / 2 FeMo-Cofactor of Nitrogenase: Hyperfine Interaction Analysis and Implication for the Central Ligand X Identity
journal, July 2008

  • Pelmenschikov, Vladimir; Case, David A.; Noodleman, Louis
  • Inorganic Chemistry, Vol. 47, Issue 14
  • DOI: 10.1021/ic7022743

First-principles calculation of nuclear resonance vibrational spectra
journal, February 2007

  • Petrenko, Taras; Sturhahn, Wolfgang; Neese, Frank
  • Hyperfine Interactions, Vol. 175, Issue 1-3
  • DOI: 10.1007/s10751-008-9600-5

Photolysis of Hi-CO Nitrogenase - Observation of a Plethora of Distinct CO Species Using Infrared Spectroscopy
journal, March 2011

  • Yan, Lifen; Dapper, Christie H.; George, Simon J.
  • European Journal of Inorganic Chemistry, Vol. 2011, Issue 13
  • DOI: 10.1002/ejic.201100029

Redox, haem and CO in enzymatic catalysis and regulation
journal, May 2012

  • Ragsdale, Stephen W.; Yi, Li; Bender, Güneş
  • Biochemical Society Transactions, Vol. 40, Issue 3
  • DOI: 10.1042/BST20120083

Conformations generated during turnover of the Azotobacter vinelandii nitrogenase MoFe protein and their relationship to physiological function
journal, November 2007

CO, NO and O2 as vibrational probes of heme protein interactions
journal, January 2013

  • Spiro, Thomas G.; Soldatova, Alexandra V.; Balakrishnan, Gurusamy
  • Coordination Chemistry Reviews, Vol. 257, Issue 2
  • DOI: 10.1016/j.ccr.2012.05.008

Vibrations of the Interstitial Atoms in Transition Metal Clusters
journal, February 1990

  • Stanghellini, Pier Luigi; Rossetti, Rosanna
  • Comments on Inorganic Chemistry, Vol. 9, Issue 5
  • DOI: 10.1080/02603599008045478

n-Butyl isocyanide oxidation at the [NiFe4S4OH x ] cluster of CO dehydrogenase
journal, September 2011

  • Jeoung, Jae-Hun; Dobbek, Holger
  • JBIC Journal of Biological Inorganic Chemistry, Vol. 17, Issue 2
  • DOI: 10.1007/s00775-011-0839-y

Applications of X-ray absorption spectroscopy to biologically relevant metal-based chemistry
journal, February 2010

Spectroscopic studies of myoglobin at low pH: heme structure and ligation
journal, February 1991

  • Sage, J. Timothy; Morikis, Dimitrios; Champion, Paul M.
  • Biochemistry, Vol. 30, Issue 5
  • DOI: 10.1021/bi00219a010

The Evolution and Future of Earth’s Nitrogen Cycle
journal, October 2010

  • Canfield, Donald E.; Glazer, Alexander N.; Falkowski, Paul G.
  • Science, Vol. 330, Issue 6001
  • DOI: 10.1126/science.1186120

Nitrogenase: A Draft Mechanism
journal, December 2012

  • Hoffman, Brian M.; Lukoyanov, Dmitriy; Dean, Dennis R.
  • Accounts of Chemical Research, Vol. 46, Issue 2
  • DOI: 10.1021/ar300267m

Biological X-ray absorption spectroscopy and metalloproteomics
journal, April 2009

Initial synthesis and structure of an all-ferrous analogue of the fully reduced [Fe4S4]0 cluster of the nitrogenase iron protein
journal, June 2005

  • Scott, T. A.; Berlinguette, C. P.; Holm, R. H.
  • Proceedings of the National Academy of Sciences, Vol. 102, Issue 28
  • DOI: 10.1073/pnas.0504258102

Stabilization of Fully Reduced Iron−Sulfur Clusters by Carbene Ligation: The [Fe n S n ] 0 Oxidation Levels ( n = 4, 8)
journal, July 2008

  • Deng, Liang; Holm, R. H.
  • Journal of the American Chemical Society, Vol. 130, Issue 30
  • DOI: 10.1021/ja802111w

Iron-sulfur clusters in the molybdenum-iron protein component of nitrogenase. Electron paramagnetic resonance of the carbon monoxide inhibited state
journal, October 1979

  • Davis, Lawrence C.; Henzl, Michael T.; Burris, R. H.
  • Biochemistry, Vol. 18, Issue 22
  • DOI: 10.1021/bi00589a014

EPR and FTIR Analysis of the Mechanism of H 2 Activation by [FeFe]-Hydrogenase HydA1 from Chlamydomonas reinhardtii
journal, April 2013

  • Mulder, David W.; Ratzloff, Michael W.; Shepard, Eric M.
  • Journal of the American Chemical Society, Vol. 135, Issue 18
  • DOI: 10.1021/ja4000257

Observation of Terahertz Vibrations in the Nitrogenase FeMo Cofactor by Femtosecond Pump-Probe Spectroscopy
journal, April 2010

  • Delfino, Ines; Cerullo, Giulio; Cannistraro, Salvatore
  • Angewandte Chemie International Edition, Vol. 49, Issue 23
  • DOI: 10.1002/anie.200906787

The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre
journal, October 2011

  • Fritsch, Johannes; Scheerer, Patrick; Frielingsdorf, Stefan
  • Nature, Vol. 479, Issue 7372
  • DOI: 10.1038/nature10505

Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase
journal, October 2011

  • Shomura, Yasuhito; Yoon, Ki-Seok; Nishihara, Hirofumi
  • Nature, Vol. 479, Issue 7372
  • DOI: 10.1038/nature10504

Climbing Nitrogenase: Toward a Mechanism of Enzymatic Nitrogen Fixation
journal, May 2009

  • Hoffman, Brian M.; Dean, Dennis R.; Seefeldt, Lance C.
  • Accounts of Chemical Research, Vol. 42, Issue 5
  • DOI: 10.1021/ar8002128

Redox-Dependent Structural Changes in the Nitrogenase P-Cluster † , ‡
journal, February 1997

  • Peters, John W.; Stowell, Michael H. B.; Soltis, S. Michael
  • Biochemistry, Vol. 36, Issue 6
  • DOI: 10.1021/bi9626665

Nuclear resonance vibrational spectroscopy ? NRVS
journal, January 2005

How Nitrogenase Shakes − Initial Information about P−Cluster and FeMo-cofactor Normal Modes from Nuclear Resonance Vibrational Spectroscopy (NRVS)
journal, June 2006

  • Xiao, Yuming; Fisher, Karl; Smith, Matt C.
  • Journal of the American Chemical Society, Vol. 128, Issue 23
  • DOI: 10.1021/ja0603655

CO Binding to the FeMo Cofactor of CO-Inhibited Nitrogenase:  13 CO and 1 H Q-Band ENDOR Investigation
journal, October 1997

  • Lee, Hong-In; Cameron, Linda M.; Hales, Brian J.
  • Journal of the American Chemical Society, Vol. 119, Issue 42
  • DOI: 10.1021/ja9715096

One- to Two-Electron Reduction of an [FeFe]-Hydrogenase Active Site Mimic: The Critical Role of Fluxionality of the [2Fe2S] Core
journal, July 2009

  • Felton, Greg A. N.; Petro, Benjamin J.; Glass, Richard S.
  • Journal of the American Chemical Society, Vol. 131, Issue 32
  • DOI: 10.1021/ja904520x

Quantitative Vibrational Dynamics of Iron in Nitrosyl Porphyrins
journal, April 2004

  • Leu, Bogdan M.; Zgierski, Marek Z.; Wyllie, Graeme R. A.
  • Journal of the American Chemical Society, Vol. 126, Issue 13
  • DOI: 10.1021/ja038526h

Iron EXAFS of Azotobacter vinelandii nitrogenase molybdenum-iron and vanadium-iron proteins
journal, June 1993

  • Chen, J.; Christiansen, J.; Tittsworth, R. C.
  • Journal of the American Chemical Society, Vol. 115, Issue 13
  • DOI: 10.1021/ja00066a019

Density Functional Theory Calculations and Exploration of a Possible Mechanism of N 2 Reduction by Nitrogenase
journal, March 2004

  • Huniar, Uwe; Ahlrichs, Reinhart; Coucouvanis, Dimitri
  • Journal of the American Chemical Society, Vol. 126, Issue 8
  • DOI: 10.1021/ja030541z

EXAFS of Klebsiella pneumoniae nitrogenase MoFe protein from wild-type and nif V mutant strains
journal, May 1986

  • Eidsness, M. K.; Flank, A. M.; Smith, B. E.
  • Journal of the American Chemical Society, Vol. 108, Issue 10
  • DOI: 10.1021/ja00270a039

EXAFS and NRVS Reveal a Conformational Distortion of the FeMo-cofactor in the MoFe Nitrogenase Propargyl Alcohol Complex
journal, July 2012

Catalysis by Enzymes: The Biological Ammonia Synthesis
journal, March 2006

Characterization of Isolated Nitrogenase FeVco
journal, September 2010

  • Fay, Aaron W.; Blank, Michael A.; Lee, Chi Chung
  • Journal of the American Chemical Society, Vol. 132, Issue 36
  • DOI: 10.1021/ja1019657

Redox-Dependent Structural Transformations of the [4Fe-3S] Proximal Cluster in O 2 -Tolerant Membrane-Bound [NiFe]-Hydrogenase: A DFT Study
journal, July 2013

  • Pelmenschikov, Vladimir; Kaupp, Martin
  • Journal of the American Chemical Society, Vol. 135, Issue 32
  • DOI: 10.1021/ja402159u

The molybdenum site of nitrogenase. 2. A comparative study of molybdenum-iron proteins and the iron-molybdenum cofactor by x-ray absorption spectroscopy
journal, June 1978

  • Cramer, Stephen P.; Gillum, William O.; Hodgson, Keith O.
  • Journal of the American Chemical Society, Vol. 100, Issue 12
  • DOI: 10.1021/ja00480a027

X-ray absorption of Azotobacter vinelandii vanadium nitrogenase
journal, June 1988

  • George, G. N.; Coyle, C. L.; Hales, B. J.
  • Journal of the American Chemical Society, Vol. 110, Issue 12
  • DOI: 10.1021/ja00220a066

Structural insights into a protein-bound iron-molybdenum cofactor precursor
journal, January 2006

  • Corbett, M. C.; Hu, Y.; Fay, A. W.
  • Proceedings of the National Academy of Sciences, Vol. 103, Issue 5
  • DOI: 10.1073/pnas.0507853103

CO as a vibrational probe of heme protein active sites
journal, January 2005

EXAFS studies of FeMo-cofactor and MoFe protein: Direct evidence for the long-range Mo-Fe-Fe interaction and cyanide binding to the Mo in FeMo-cofactor
journal, March 1994

  • Liu, Hongbin Isaac; Burgess, Barbara K.; Natoli, Calogero R.
  • Journal of the American Chemical Society, Vol. 116, Issue 6
  • DOI: 10.1021/ja00085a022

Tracing the Hydrogen Source of Hydrocarbons Formed by Vanadium Nitrogenase
journal, April 2011

  • Lee, Chi Chung; Hu, Yilin; Ribbe, Markus W.
  • Angewandte Chemie International Edition, Vol. 50, Issue 24
  • DOI: 10.1002/anie.201100869

Steric Control of the Hi‐CO MoFe Nitrogenase Complex Revealed by Stopped‐Flow Infrared Spectroscopy
journal, November 2010

  • Yang, Zhi‐Yong; Seefeldt, Lance C.; Dean, Dennis R.
  • Angewandte Chemie, Vol. 123, Issue 1
  • DOI: 10.1002/ange.201005145

X-ray absorption spectroscopic studies of the binding of ligands to FeMoco of nitrogenase from Klebsiella pneumoniae
journal, July 1998

Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an α-70Ile MoFe protein variant
journal, April 2010

Single crystal EXAFS of nitrogenase
journal, March 1986

  • Flank, A. M.; Weininger, M.; Mortenson, L. E.
  • Journal of the American Chemical Society, Vol. 108, Issue 5
  • DOI: 10.1021/ja00265a034

Mechanistic Features and Structure of the Nitrogenase α-Gln 195 MoFe Protein † , ‡
journal, February 2001

  • Sørlie, Morten; Christiansen, Jason; Lemon, Brian J.
  • Biochemistry, Vol. 40, Issue 6
  • DOI: 10.1021/bi0013997

Resonance Raman Spectroscopy as a Tool to Monitor the Active Site of Hydrogenases
journal, April 2013

  • Siebert, Elisabeth; Horch, Marius; Rippers, Yvonne
  • Angewandte Chemie International Edition, Vol. 52, Issue 19
  • DOI: 10.1002/anie.201209732

Crystal Structure of the All-Ferrous [4Fe-4S] 0 Form of the Nitrogenase Iron Protein from Azotobacter vinelandii † , ‡
journal, January 2001

  • Strop, Pavel; Takahara, Patricia M.; Chiu, Hsiu-Ju
  • Biochemistry, Vol. 40, Issue 3
  • DOI: 10.1021/bi0016467

Towards an Understanding of the Workings of Nitrogenase from DFT Calculations
journal, September 2005

Terminal Iron Dinitrogen and Iron Imide Complexes Supported by a Tris(phosphino)borane Ligand
journal, January 2011

  • Moret, Marc-Etienne; Peters, Jonas C.
  • Angewandte Chemie International Edition, Vol. 50, Issue 9
  • DOI: 10.1002/anie.201006918

Mechanism of Mo-Dependent Nitrogenase
journal, June 2009

Fe and Mo EXAFS of Azotobacter vinelandii Nitrogenase in Partially Oxidized and Singly Reduced Forms
journal, October 1995

  • Christiansen, J.; Tittsworth, R. C.; Hales, B. J.
  • Journal of the American Chemical Society, Vol. 117, Issue 40
  • DOI: 10.1021/ja00145a012

Extended X-ray Absorption Fine Structure and Nuclear Resonance Vibrational Spectroscopy Reveal that NifB-co, a FeMo-co Precursor, Comprises a 6Fe Core with an Interstitial Light Atom
journal, April 2008

  • George, Simon J.; Igarashi, Robert Y.; Xiao, Yuming
  • Journal of the American Chemical Society, Vol. 130, Issue 17
  • DOI: 10.1021/ja0755358

Activation and protonation of dinitrogen at the FeMo cofactor of nitrogenase
journal, August 2005

  • Kästner, Johannes; Hemmen, Sascha; Blöchl, Peter E.
  • The Journal of Chemical Physics, Vol. 123, Issue 7
  • DOI: 10.1063/1.2008227

How does vanadium nitrogenase reduce CO to hydrocarbons?
journal, January 2011

Carbon dioxide reduction to methane and coupling with acetylene to form propylene catalyzed by remodeled nitrogenase
journal, November 2012

  • Yang, Z. -Y.; Moure, V. R.; Dean, D. R.
  • Proceedings of the National Academy of Sciences, Vol. 109, Issue 48
  • DOI: 10.1073/pnas.1213159109

Structure of the  2 2 Ni-dependent CO dehydrogenase component of the Methanosarcina barkeri acetyl-CoA decarbonylase/synthase complex
journal, July 2008

  • Gong, W.; Hao, B.; Wei, Z.
  • Proceedings of the National Academy of Sciences, Vol. 105, Issue 28
  • DOI: 10.1073/pnas.0800415105

[NiFe] hydrogenases: A common active site for hydrogen metabolism under diverse conditions
journal, August 2013

  • Shafaat, Hannah S.; Rüdiger, Olaf; Ogata, Hideaki
  • Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1827, Issue 8-9
  • DOI: 10.1016/j.bbabio.2013.01.015

Tracing the Interstitial Carbide of the Nitrogenase Cofactor during Substrate Turnover
journal, March 2013

  • Wiig, Jared A.; Lee, Chi Chung; Hu, Yilin
  • Journal of the American Chemical Society, Vol. 135, Issue 13
  • DOI: 10.1021/ja401698d

The Mechanistically Significant Coordination Chemistry of Dinitrogen at FeMo-co, the Catalytic Site of Nitrogenase
journal, February 2007

  • Dance, Ian
  • Journal of the American Chemical Society, Vol. 129, Issue 5
  • DOI: 10.1021/ja0644428

Characterization of [4Fe-4S] Cluster Vibrations and Structure in Nitrogenase Fe Protein at Three Oxidation Levels via Combined NRVS, EXAFS, and DFT Analyses
journal, February 2013

  • Mitra, Devrani; George, Simon J.; Guo, Yisong
  • Journal of the American Chemical Society, Vol. 135, Issue 7
  • DOI: 10.1021/ja307027n

Crystallographic Snapshots of Cyanide- and Water-Bound C-Clusters from Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase ,
journal, August 2009

  • Kung, Yan; Doukov, Tzanko I.; Seravalli, Javier
  • Biochemistry, Vol. 48, Issue 31
  • DOI: 10.1021/bi900574h

Radical SAM-Dependent Carbon Insertion into the Nitrogenase M-Cluster
journal, September 2012

Evidence for Interstitial Carbon in Nitrogenase FeMo Cofactor
journal, November 2011

Nitrogenase reduction of carbon-containing compounds
journal, August 2013

  • Seefeldt, Lance C.; Yang, Zhi-Yong; Duval, Simon
  • Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1827, Issue 8-9
  • DOI: 10.1016/j.bbabio.2013.04.003

Investigation of CO Binding and Release from Mo-Nitrogenase during Catalytic Turnover †
journal, June 1998

  • Cameron, Linda M.; Hales, Brian J.
  • Biochemistry, Vol. 37, Issue 26
  • DOI: 10.1021/bi972667c

The Hydrogen Chemistry of the FeMo-co Active Site of Nitrogenase
journal, August 2005

  • Dance, Ian
  • Journal of the American Chemical Society, Vol. 127, Issue 31
  • DOI: 10.1021/ja0504946

The molybdenum site of nitrogenase. Preliminary structural evidence from x-ray absorption spectroscopy
journal, May 1978

  • Cramer, Stephen P.; Hodgson, Keith O.; Gillum, William O.
  • Journal of the American Chemical Society, Vol. 100, Issue 11
  • DOI: 10.1021/ja00479a023

Mechanism of Molybdenum Nitrogenase
journal, January 1996

  • Burgess, Barbara K.; Lowe, David J.
  • Chemical Reviews, Vol. 96, Issue 7
  • DOI: 10.1021/cr950055x

X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor
journal, November 2011

IR-Monitored Photolysis of CO-Inhibited Nitrogenase: A Major EPR-Silent Species with Coupled Terminal CO Ligands
journal, November 2012

  • Yan, Lifen; Pelmenschikov, Vladimir; Dapper, Christie H.
  • Chemistry - A European Journal, Vol. 18, Issue 51
  • DOI: 10.1002/chem.201202072

Vanadium Nitrogenase Reduces CO
journal, August 2010

Identification of the CO-Binding Cluster in Nitrogenase MoFe Protein by ENDOR of 57 Fe Isotopomers
journal, January 1996

  • Christie, Patricia D.; Lee, Hong-In; Cameron, Linda M.
  • Journal of the American Chemical Society, Vol. 118, Issue 36
  • DOI: 10.1021/ja961289g

Catalytic Reduction of N 2 to NH 3 by an Fe–N 2 Complex Featuring a C-Atom Anchor
journal, January 2014

  • Creutz, Sidney E.; Peters, Jonas C.
  • Journal of the American Chemical Society, Vol. 136, Issue 3
  • DOI: 10.1021/ja4114962

XAFS studies of nitrogenase: the MoFe and VFe proteins and the use of crystallographic coordinates in three-dimensional EXAFS data analysis
journal, December 2002

  • Strange, Richard W.; Eady, Robert R.; Lawson, David
  • Journal of Synchrotron Radiation, Vol. 10, Issue 1
  • DOI: 10.1107/S0909049502017272

Vibrational frequencies associated with the carbide ligand in iron butterfly clusters
journal, September 1987

  • Stanghellini, P. L.; Sailor, M. J.; Kuznesof, P.
  • Inorganic Chemistry, Vol. 26, Issue 18
  • DOI: 10.1021/ic00265a007

Vanadium K-edge X-ray absorption spectrum of the VFe protein of the vanadium nitrogenase of Azotobacter chroococcum
journal, January 1987

  • Arber, Judith M.; Dobson, Barry R.; Eady, Robert R.
  • Nature, Vol. 325, Issue 6102
  • DOI: 10.1038/325372a0

Time-Resolved Binding of Carbon Monoxide to Nitrogenase Monitored by Stopped-Flow Infrared Spectroscopy
journal, July 1997

  • George, Simon J.; Ashby, Gillian A.; Wharton, Christopher W.
  • Journal of the American Chemical Society, Vol. 119, Issue 27
  • DOI: 10.1021/ja971088s

A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation
journal, December 2012

  • Weber, Katharina; Krämer, Tobias; Shafaat, Hannah S.
  • Journal of the American Chemical Society, Vol. 134, Issue 51
  • DOI: 10.1021/ja309563p
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