A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes

Leena Penttinen, Chiara Rutanen, Markku Saloheimo, Kristiina Kruus, Juha Rouvinen, Nina Hakulinen

    Research output: Contribution to journalArticleResearchpeer-review

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    Abstract

    Coupled binuclear copper (CBC) enzymes have a conserved type 3 copper site that binds molecular oxygen to oxidize various mono- and diphenolic compounds. In this study, we found a new crystal form of catechol oxidase from Aspergillus oryzae (AoCO4) and solved two new structures from two different crystals at 1.8-Å and at 2.5-Å resolutions. These structures showed different copper site forms (met/deoxy and deoxy) and also differed from the copper site observed in the previously solved structure of AoCO4. We also analysed the electron density maps of all of the 56 CBC enzyme structures available in the protein data bank (PDB) and found that many of the published structures have vague copper sites. Some of the copper sites were then re-refined to find a better fit to the observed electron density. General problems in the refinement of metalloproteins and metal centres are discussed.

    LanguageEnglish
    Article numbere0196691
    JournalPLoS ONE
    Volume13
    Issue number5
    DOIs
    Publication statusPublished - 1 May 2018

    Fingerprint

    Aspergillus oryzae
    Catechol Oxidase
    Aspergillus
    catechol oxidase
    crystals
    Copper
    copper
    Crystals
    Enzymes
    enzymes
    Carrier concentration
    metalloproteins
    electrons
    Metalloproteins
    Electrons
    Molecular oxygen
    Metals
    metals
    Databases
    Oxygen

    OKM Publication Types

    • A1 Refereed journal article

    OKM Open Access Status

    • 1 Open Access

    ASJC Scopus subject areas

    • Biochemistry, Genetics and Molecular Biology(all)
    • Agricultural and Biological Sciences(all)

    Cite this

    Penttinen, Leena ; Rutanen, Chiara ; Saloheimo, Markku ; Kruus, Kristiina ; Rouvinen, Juha ; Hakulinen, Nina. / A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes. In: PLoS ONE. 2018 ; Vol. 13, No. 5.
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    A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes. / Penttinen, Leena; Rutanen, Chiara; Saloheimo, Markku; Kruus, Kristiina; Rouvinen, Juha; Hakulinen, Nina.

    In: PLoS ONE, Vol. 13, No. 5, e0196691, 01.05.2018.

    Research output: Contribution to journalArticleResearchpeer-review

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    AU - Penttinen, Leena

    AU - Rutanen, Chiara

    AU - Saloheimo, Markku

    AU - Kruus, Kristiina

    AU - Rouvinen, Juha

    AU - Hakulinen, Nina

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