Literature DB >> 24322538

Orbital contributions to CO oxidation in Mo-Cu carbon monoxide dehydrogenase.

Benjamin W Stein1, Martin L Kirk.   

Abstract

A molecular orbital analysis provides new insight into the mechanism of Mo/Cu carbon monoxide dehydrogenase, and reveals electronic structure contributions to reactivity that are remarkably similar to the structurally related molybdenum hydroxylases. A calculated reaction barrier of ~12 kcal mol(-1) is in excellent agreement with experiment.

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Year:  2014        PMID： 24322538      PMCID： PMC3959894          DOI： 10.1039/c3cc47705c

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  13 in total

1.  Paramagnetic active site models for the molybdenum-copper carbon monoxide dehydrogenase.

Authors:  Craig Gourlay; David J Nielsen; Jonathan M White; Sushilla Z Knottenbelt; Martin L Kirk; Charles G Young
Journal:  J Am Chem Soc       Date:  2006-02-22       Impact factor: 15.419

2.  Beyond Aresta's complex: Ni- and Pd-catalyzed organozinc coupling with CO2.

Authors:  Charles S Yeung; Vy M Dong
Journal:  J Am Chem Soc       Date:  2008-05-30       Impact factor: 15.419

3.  Kinetic and spectroscopic studies of the molybdenum-copper CO dehydrogenase from Oligotropha carboxidovorans.

Authors:  Bo Zhang; Craig F Hemann; Russ Hille
Journal:  J Biol Chem       Date:  2010-02-23       Impact factor: 5.157

4.  Catalysis at a dinuclear [CuSMo(==O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution.

Authors:  Holger Dobbek; Lothar Gremer; Reiner Kiefersauer; Robert Huber; Ortwin Meyer
Journal:  Proc Natl Acad Sci U S A       Date:  2002-12-10       Impact factor: 11.205

5.  The structure of formaldehyde-inhibited xanthine oxidase determined by 35 GHz 2H ENDOR spectroscopy.

Authors:  Muralidharan Shanmugam; Bo Zhang; Rebecca L McNaughton; R Adam Kinney; Russ Hille; Brian M Hoffman
Journal:  J Am Chem Soc       Date:  2010-10-13       Impact factor: 15.419

6.  Crystal structure and mechanism of CO dehydrogenase, a molybdo iron-sulfur flavoprotein containing S-selanylcysteine.

Authors:  H Dobbek; L Gremer; O Meyer; R Huber
Journal:  Proc Natl Acad Sci U S A       Date:  1999-08-03       Impact factor: 11.205

7.  The mechanism of Mo-/Cu-dependent CO dehydrogenase.

Authors:  Matthias Hofmann; Jutta K Kassube; Tobias Graf
Journal:  J Biol Inorg Chem       Date:  2005-09-23       Impact factor: 3.358

8.  Spectroscopic and electronic structure studies probing covalency contributions to C-H bond activation and transition-state stabilization in xanthine oxidase.

Authors:  Joseph Sempombe; Benjamin Stein; Martin L Kirk
Journal:  Inorg Chem       Date:  2011-10-05       Impact factor: 5.165

Review 9.  Molybdenum-containing hydroxylases.

Authors:  Russ Hille
Journal:  Arch Biochem Biophys       Date:  2005-01-01       Impact factor: 4.013

10.  The hydrogenase activity of the molybdenum/copper-containing carbon monoxide dehydrogenase of Oligotropha carboxidovorans.

Authors:  Jarett Wilcoxen; Russ Hille
Journal:  J Biol Chem       Date:  2013-10-28       Impact factor: 5.157
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  5 in total

Review 1.  The aerobic CO dehydrogenase from Oligotropha carboxidovorans.

Authors:  Russ Hille; Stephanie Dingwall; Jarett Wilcoxen
Journal:  J Biol Inorg Chem       Date:  2014-08-26       Impact factor: 3.358

Review 2.  Electronic structure contributions to reactivity in xanthine oxidase family enzymes.

Authors:  Benjamin W Stein; Martin L Kirk
Journal:  J Biol Inorg Chem       Date:  2014-11-26       Impact factor: 3.358

3.  A W/Cu Synthetic Model for the Mo/Cu Cofactor of Aerobic CODH Indicates That Biochemical CO Oxidation Requires a Frustrated Lewis Acid/Base Pair.

Authors:  Dibbendu Ghosh; Soumen Sinhababu; Bernard D Santarsiero; Neal P Mankad
Journal:  J Am Chem Soc       Date:  2020-07-13       Impact factor: 16.383

4.  Can Water Act as a Nucleophile in CO Oxidation Catalysed by Mo/Cu CO-Dehydrogenase? Answers from Theory.

Authors:  Anna Rovaletti; Giorgio Moro; Ugo Cosentino; Ulf Ryde; Claudio Greco
Journal:  Chemphyschem       Date:  2022-03-10       Impact factor: 3.520

Review 5.  The Challenging in silico Description of Carbon Monoxide Oxidation as Catalyzed by Molybdenum-Copper CO Dehydrogenase.

Authors:  Anna Rovaletti; Maurizio Bruschi; Giorgio Moro; Ugo Cosentino; Claudio Greco
Journal:  Front Chem       Date:  2019-01-09       Impact factor: 5.221
  5 in total

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