caa a22 4500 605507856 CHVBK 20210128100634.0 cr unu---uuuuu 210128e20150301xx s 000 0 eng 10.1007/s00775-014-1212-8 doi (NATIONALLICENCE)springer-10.1007/s00775-014-1212-8 Electronic structure contributions to reactivity in xanthine oxidase family enzymes [Elektronische Daten] [Benjamin Stein, Martin Kirk] We review the xanthine oxidase (XO) family of pyranopterin molybdenum enzymes with a specific emphasis on electronic structure contributions to reactivity. In addition to xanthine and aldehyde oxidoreductases, which catalyze the two-electron oxidation of aromatic heterocycles and aldehyde substrates, this mini-review highlights recent work on the closely related carbon monoxide dehydrogenase (CODH) that catalyzes the oxidation of CO using a unique Mo-Cu heterobimetallic active site. A primary focus of this mini-review relates to how spectroscopy and computational methods have been used to develop an understanding of critical relationships between geometric structure, electronic structure, and catalytic function. SBIC, 2014 Molybdenum nationallicence Xanthine oxidase nationallicence Carbon monoxide dehydrogenase nationallicence Electronic structure nationallicence Reactivity nationallicence AO : Aldehyde oxidase nationallicence CODH : CO dehydrogenase nationallicence DFT : Density functional theory nationallicence ENDOR : Electron-nuclear double resonance nationallicence EPR : Electron paramagnetic resonance nationallicence EXAFS : Extended X-ray absorption fine structure nationallicence FAD : Flavin adenine dinucleotide nationallicence MCD : Magnetic circular dichroism nationallicence QM/MM : Quantum mechanics/molecular mechanics nationallicence ROS : Reactive oxygen species nationallicence rR : Resonance Raman nationallicence XDH/XO/XOR : Xanthine dehydrogenase/oxidase/oxidoreductase nationallicence Stein Benjamin Department of Chemistry and Chemical Biology, University of New Mexico, MSC03 2060, 300 Terrace St. NE, 87131, Albuquerque, NM, USA aut Kirk Martin Department of Chemistry and Chemical Biology, University of New Mexico, MSC03 2060, 300 Terrace St. NE, 87131, Albuquerque, NM, USA aut JBIC Journal of Biological Inorganic Chemistry Springer Berlin Heidelberg 20/2(2015-03-01), 183-194 0949-8257 20:2<183 2015 20 775 https://doi.org/10.1007/s00775-014-1212-8 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 review-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00775-014-1212-8 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Stein Benjamin Department of Chemistry and Chemical Biology, University of New Mexico, MSC03 2060, 300 Terrace St. NE, 87131, Albuquerque, NM, USA aut NATIONALLICENCE 700 1- Kirk Martin Department of Chemistry and Chemical Biology, University of New Mexico, MSC03 2060, 300 Terrace St. NE, 87131, Albuquerque, NM, USA aut NATIONALLICENCE 773 0- JBIC Journal of Biological Inorganic Chemistry Springer Berlin Heidelberg 20/2(2015-03-01), 183-194 0949-8257 20:2<183 2015 20 775