ArticleAngewandte Chemie (International ed. in English)2018
Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane Monooxygenase.
Article in Angewandte Chemie (International ed. in English), 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers.
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47 citing papers in PubMed, 149 citations in OpenAlex.
- Quantum refinement with electron diffraction and X-ray free-electron laser data: comparative study of ribonucleotide reductase dimetal site.Journal of applied crystallography · 2026Article
- Structural insights into the catalytic mechanism of ammonia monooxygenase.Nature communications · 2025Article
- Critical evaluation of three cryo-EM structures of particulate methane monooxygenase by quantum refinement.Acta crystallographica. Section D, Structural biology · 2025Article
- Signal-strapping as a protein-sequence search method for the discovery of metalloproteins.Nature communications · 2025Article
- Recent Advances in Bioinspired Cu-Directed C-H Hydroxylation Reactions.Accounts of chemical research · 2025Article
- Copper-Substituted Polyoxotungstates as Catalysts for the Electrocatalytic Oxygenation of Light Alkanes.Inorganic chemistry · 2025Article
- Direct Methane to Methanol Conversion: An Overview of Non-Syn Gas Catalytic Strategies.Chemical record (New York, N.Y.) · 2025Review
- Copper-oxygen adducts: new trends in characterization and properties towards C-H activation.Chemical science · 2024Review
- Mechanisms for Methane and Ammonia Oxidation by Particulate Methane Monooxygenase.The journal of physical chemistry. B · 2024Article
- Accelerating reliable multiscale quantum refinement of protein-drug systems enabled by machine learning.Nature communications · 2024Article
- Enabling a bioinspiredDalton transactions (Cambridge, England : 2003) · 2024Article
- Direct Methane Oxidation by Copper- and Iron-Dependent Methane Monooxygenases.Chemical reviews · 2024Review
- MmoD regulates soluble methane monooxygenase and methanobactin production inApplied and environmental microbiology · 2023Article
- Insight into the direct conversion of methane to methanol on modified ZIF-204 from the perspective of DFT-based calculations.RSC advances · 2023Article
- Article
- Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.Science (New York, N.Y.) · 2022Article
- Structural Elucidation, Aggregation, and Dynamic Behaviour ofEuropean journal of inorganic chemistry · 2021Article
- Cu-promoted intramolecular hydroxylation of CH bonds using directing groups with varying denticity.Journal of inorganic biochemistry · 2021Article
- Coordination of the Copper Centers in Particulate Methane Monooxygenase: Comparison between Methanotrophs and Characterization of the CuJournal of the American Chemical Society · 2021Article
- Mechanistic Study of the Activation and the Electrocatalytic Reduction of Hydrogen Peroxide by Cu-tmpa in Neutral Aqueous Solution.ChemElectroChem · 2021Article
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4 authors at 2 institutions in 2 countries.
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Abstract
Particulate methane monooxygenase (pMMO) is one of the few enzymes that can activate methane. The metal content of this enzyme has been highly controversial, with suggestions of a dinuclear Fe site or mono-, di-, or trinuclear Cu sites. Crystal structures have shown a mono- or dinuclear Cu site, but the resolution was low and the geometry of the dinuclear site unusual. We have employed quantum refinement (crystallographic refinement enhanced with quantum-mechanical calculations) to improve the structure of the active site. We compared a number of different mono- and dinuclear geometries, in some cases enhanced with more protein ligands or one or two water molecules, to determine which structure fits two sets of crystallographic raw data best. In all cases, the best results were obtained with mononuclear Cu sites, occasionally with an extra water molecule. Thus, we conclude that there is no crystallographic support for a dinuclear Cu site in pMMO.
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