Computational Studies on the A Cluster of Acetyl-Coenzyme A Synthase:  Geometric and Electronic Properties of the NiFeC Species and Mechanistic Implications

Ralph P. Schenker; Thomas C. Brunold

doi:10.1021/ja037893q

Computational Studies on the A Cluster of Acetyl-Coenzyme A Synthase: Geometric and Electronic Properties of the NiFeC Species and Mechanistic Implications

Journal of the American Chemical Society ◽

10.1021/ja037893q ◽

2003 ◽

Vol 125 (46) ◽

pp. 13962-13963 ◽

Cited By ~ 37

Author(s):

Ralph P. Schenker ◽

Thomas C. Brunold

Keyword(s):

Electronic Properties ◽

Coenzyme A ◽

Computational Studies ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase ◽

Geometric And Electronic Properties

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Faculty Opinions recommendation of Computational studies on the A cluster of acetyl-coenzyme A synthase: geometric and electronic properties of the NiFeC species and mechanistic implications.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1015863.200325 ◽

2003 ◽

Author(s):

Joan Broderick

Keyword(s):

Electronic Properties ◽

Coenzyme A ◽

Computational Studies ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase ◽

Geometric And Electronic Properties

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Spectroscopic and computational insights into the geometric and electronic properties of the A-cluster of acetyl-coenzyme A synthase

JBIC Journal of Biological Inorganic Chemistry ◽

10.1007/s00775-004-0566-8 ◽

2004 ◽

Vol 9 (5) ◽

pp. 533-541 ◽

Cited By ~ 21

Author(s):

Thomas C. Brunold

Keyword(s):

Electronic Properties ◽

Coenzyme A ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase ◽

Geometric And Electronic Properties

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Thiolate-Bridged Nickel−Copper Complexes: A Binuclear Model for the Catalytic Site of Acetyl Coenzyme A Synthase?

Journal of the American Chemical Society ◽

10.1021/ja0346577 ◽

2003 ◽

Vol 125 (15) ◽

pp. 4422-4423 ◽

Cited By ~ 38

Author(s):

Rangan Krishnan ◽

Janis K. Voo ◽

Charles G. Riordan ◽

Lev Zahkarov ◽

Arnold L. Rheingold

Keyword(s):

Copper Complexes ◽

Coenzyme A ◽

Catalytic Site ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Nickel Copper ◽

Acetyl Coenzyme A Synthase

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Synthetic Analogues of the Active Site of the A-Cluster of Acetyl Coenzyme A Synthase/CO Dehydrogenase: Syntheses, Structures, and Reactions with CO

Inorganic Chemistry ◽

10.1021/ic0520465 ◽

2006 ◽

Vol 45 (8) ◽

pp. 3424-3436 ◽

Cited By ~ 41

Author(s):

Todd C. Harrop ◽

Marilyn M. Olmstead ◽

Pradip K. Mascharak

Keyword(s):

Active Site ◽

Coenzyme A ◽

Co Dehydrogenase ◽

Synthetic Analogues ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase

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Structural and reaction chemistry of nickel complexes in relation to carbon monoxide dehydrogenase: a reaction system simulating acetyl-coenzyme A synthase activity

Journal of the American Chemical Society ◽

10.1021/ja00022a041 ◽

1991 ◽

Vol 113 (22) ◽

pp. 8485-8492 ◽

Cited By ~ 62

Author(s):

Pericles Stavropoulos ◽

Mark C. Muetterties ◽

Michel Carrie ◽

R. H. Holm

Keyword(s):

Carbon Monoxide ◽

Coenzyme A ◽

Reaction System ◽

Nickel Complexes ◽

Carbon Monoxide Dehydrogenase ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase

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The Conversion of Nickel-Bound CO into an Acetyl Thioester: Organometallic Chemistry Relevant to the Acetyl Coenzyme A Synthase Active Site

Angewandte Chemie International Edition ◽

10.1002/anie.201105281 ◽

2011 ◽

Vol 50 (52) ◽

pp. 12621-12625 ◽

Cited By ~ 21

Author(s):

Bettina Horn ◽

Christian Limberg ◽

Christian Herwig ◽

Stefan Mebs

Keyword(s):

Organometallic Chemistry ◽

Active Site ◽

Coenzyme A ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase

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Structural and spectroscopic models of the A-cluster of acetyl coenzyme a synthase/carbon monoxide dehydrogenase: Nature's Monsanto acetic acid catalyst

Coordination Chemistry Reviews ◽

10.1016/j.ccr.2005.04.019 ◽

2005 ◽

Vol 249 (24) ◽

pp. 3007-3024 ◽

Cited By ~ 62

Author(s):

Todd C. Harrop ◽

Pradip K. Mascharak

Keyword(s):

Carbon Monoxide ◽

Acetic Acid ◽

Coenzyme A ◽

Acid Catalyst ◽

Carbon Monoxide Dehydrogenase ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase

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Transition Metal Complexes with Sulfur Ligands. 117.1A Reaction Cycle for Nickel Mediated Thioester Formation from Alkyl, CO, and Thiolate Groups Modeling the Acetyl-Coenzyme A Synthase Function of CO Dehydrogenase

Journal of the American Chemical Society ◽

10.1021/ja952598u ◽

1996 ◽

Vol 118 (23) ◽

pp. 5368-5374 ◽

Cited By ~ 39

Author(s):

Dieter Sellmann ◽

Daniel Häussinger ◽

Falk Knoch ◽

Matthias Moll

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Coenzyme A ◽

Co Dehydrogenase ◽

Acetyl Coenzyme A ◽

Reaction Cycle ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase

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Methyl Transfer from Methylcobaloxime to (Triphos)Ni(PPh3): Relevance to the Mechanism of Acetyl Coenzyme A Synthase

Journal of the American Chemical Society ◽

10.1021/ja072063o ◽

2007 ◽

Vol 129 (30) ◽

pp. 9286-9287 ◽

Cited By ~ 27

Author(s):

Nathan A. Eckert ◽

William G. Dougherty ◽

Glenn P. A. Yap ◽

Charles G. Riordan

Keyword(s):

Coenzyme A ◽

Acetyl Coenzyme A ◽

Acetyl Coenzyme ◽

Methyl Transfer ◽

Acetyl Coenzyme A Synthase

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Synthetic analogs for evaluating the influence of N–H⋯S hydrogen bonds on the formation of thioester in acetyl coenzyme a synthase

Dalton Transactions ◽

10.1039/b901192g ◽

2009 ◽

pp. 4359 ◽

Cited By ~ 21

Author(s):

Piyal W. G. Ariyananda ◽

Matthew T. Kieber-Emmons ◽

Glenn P. A. Yap ◽

Charles G. Riordan

Keyword(s):

Hydrogen Bonds ◽

Coenzyme A ◽

Acetyl Coenzyme A ◽

Synthetic Analogs ◽

Acetyl Coenzyme ◽

Acetyl Coenzyme A Synthase

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