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Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics

Nature Structural Biology volume 4, pages 523–526 (1997)Cite this article

Abstract

The 2.54 Å resolution structure of Ni-Fe hydrogenase has revealed the existence of hydrophobic channels connecting the molecular surface to the active site. A crystallographic analysis of xenon binding together with molecular dynamics simulations of xenon and H2 diffusion in the enzyme interior suggest that these channels serve as pathways for gas access to the active site.

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Authors and Affiliations

  1. Laboratoire de Cristallographie et Cristallogenèse des Protéines, Institut de Biologie Structural ‘J.P Ebel’ (CEA-CNRS), 41, Avenue des Martyrs, 38027, Grenoble Cédex, 1, France

    Yaël Montet, Patricia Amara, Anne Volbeda, Xavier Vernede, Michel Frey & Juan C. Fontecilla-Camps

  2. Laboratoire de Dynamique Moléculaire, Institut de Biologie Structural ‘J.P Ebel’ (CEA-CNRS), 43, Avenue des Martyrs, 38027, Grenoble Cédex, 1, France

    Patricia Amara & Martin J. Field

  3. Unité de Bioénergétique et Ingénierie des Protéines, CNRS, 13042, Marseille Cédex, 20, France

    E. Claude Hatchikian

Authors
  1. Yaël Montet
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  2. Patricia Amara
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  3. Anne Volbeda
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  4. Xavier Vernede
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  5. E. Claude Hatchikian
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  6. Martin J. Field
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  7. Michel Frey
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  8. Juan C. Fontecilla-Camps
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Corresponding authors

Correspondence to Martin J. Field or Juan C. Fontecilla-Camps.

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Montet, Y., Amara, P., Volbeda, A. et al. Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics. Nat Struct Mol Biol 4, 523–526 (1997). https://doi.org/10.1038/nsb0797-523

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