Literature DB >> 11372205

The mechanism of the Ni-Fe hydrogenases: a quantum chemical perspective.

P E Siegbahn1, M R Blomberg, M Wirstam née Pavlov, R H Crabtree.   

Abstract

The catalytic cycle for the heterolytic splitting of H2 by Ni-Fe hydrogenase has been investigated in four recent quantum chemical studies. The mechanisms proposed are described and compared. Although there are clear differences in these mechanisms and in the assignments of the different states observed experimentally, there are also important points of concensus.

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Year:  2001        PMID： 11372205     DOI： 10.1007/s007750100226

Source DB:  PubMed          Journal:  J Biol Inorg Chem        ISSN： 0949-8257            Impact factor:   3.358


  5 in total

1.  A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site.

Authors:  Maurizio Bruschi; Luca De Gioia; Giuseppe Zampella; Markus Reiher; Piercarlo Fantucci; Matthias Stein
Journal:  J Biol Inorg Chem       Date:  2004-09-09       Impact factor: 3.358

2.  How similar are enzyme active site geometries derived from quantum mechanical theozymes to crystal structures of enzyme-inhibitor complexes? Implications for enzyme design.

Authors:  Jason Dechancie; Fernando R Clemente; Adam J T Smith; Hakan Gunaydin; Yi-Lei Zhao; Xiyun Zhang; K N Houk
Journal:  Protein Sci       Date:  2007-09       Impact factor: 6.725

3.  Pathways of H2 toward the active site of [NiFe]-hydrogenase.

Authors:  Vitor H Teixeira; António M Baptista; Cláudio M Soares
Journal:  Biophys J       Date:  2006-05-26       Impact factor: 4.033

4.  Computational study of the electronic structure and magnetic properties of the Ni-C state in [NiFe] hydrogenases including the second coordination sphere.

Authors:  Mario Kampa; Wolfgang Lubitz; Maurice van Gastel; Frank Neese
Journal:  J Biol Inorg Chem       Date:  2012-10-05       Impact factor: 3.358

5.  Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy.

Authors:  Hideaki Ogata; Tobias Krämer; Hongxin Wang; David Schilter; Vladimir Pelmenschikov; Maurice van Gastel; Frank Neese; Thomas B Rauchfuss; Leland B Gee; Aubrey D Scott; Yoshitaka Yoda; Yoshihito Tanaka; Wolfgang Lubitz; Stephen P Cramer
Journal:  Nat Commun       Date:  2015-08-10       Impact factor: 14.919
  5 in total

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