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

DOI: 10.1371/journal.pone.0196691 DOI Help

Authors: Leena Penttinen (University of Eastern Finland) , Chiara Rutanen (University of Eastern Finland) , Markku Saloheimo (VTT Technical Research Center of Finland Ltd.) , Kristiina Kruus (VTT Technical Research Center of Finland Ltd.) , Juha Rouvinen (University of Eastern Finland) , Nina Hakulinen (University of Eastern Finland)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Plos One , VOL 13

State: Published (Approved)
Published: May 2018
Diamond Proposal Number(s): 10291

Open Access Open Access

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.

Journal Keywords: Crystal structure; Copper; Electron density; Oxygen; Enzyme structure; Peroxides; Molecular structure; Crystals

Diamond Keywords: Fungi; Enzymes

Subject Areas: Biology and Bio-materials, Chemistry

Instruments: I02-Macromolecular Crystallography

Other Facilities: ESRF

Added On: 08/05/2018 11:57


Discipline Tags:

Biochemistry Chemistry Structural biology Life Sciences & Biotech

Technical Tags:

Diffraction Macromolecular Crystallography (MX)