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Mechanism of methane monooxygenase – a structural and quantum chemical perspective

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Abstract

 The diiron site of methane monooxygenase (MMO) has the unique ability to activate methane. Structural studies of the MMO diiron site have revealed a limited number of coordination sites for dioxygen and dioxygen derived species. Using quantum mechanical studies of the MMO reaction, several possible reaction paths have been investigated. Energetically feasible geometries have been obtained for the different reaction steps, where the substrate activation is best described by an almost pure hydrogen abstraction step, followed by the formation of a metal-carbon bond.

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Authors and Affiliations

  1. Department of Physics, Stockholm University, S-106 91 Stockholm, Sweden e-mail: ps¯physto.se, Fax: +46-8-347817, Tel.: +46-8-164621, , , , , , SE

    P. E. M. Siegbahn

  2. Yale Chemistry Department, 225 Prospect St., New Haven CT 06511, USA, , , , , , US

    Robert H. Crabtree

  3. Department of Biochemistry, Stockholm University, S-106 91 Stockholm, Sweden, , , , , , SE

    Pär Nordlund

Authors
  1. P. E. M. Siegbahn
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  2. Robert H. Crabtree
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  3. Pär Nordlund
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Received: 14 October 1997 / Accepted: 20 January 1998

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Siegbahn, P., Crabtree, R. & Nordlund, P. Mechanism of methane monooxygenase – a structural and quantum chemical perspective. JBIC 3, 314–317 (1998). https://doi.org/10.1007/s007750050238

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  • DOI: https://doi.org/10.1007/s007750050238

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