Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation

Bacik, John-Paul; Mekasha, Sophanit; Forsberg, Zarah; Kovalevsky, Andrey Y.; Vaaje-Kolstad, Gustav; Eijsink, Vincent G.  H.; Nix, Jay C.; Coates, Leighton; Cuneo, Matthew J.; Unkefer, Clifford J.; Chen, Julian C. -H.

doi:10.1021/acs.biochem.7b00019

Title: Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation

Journal Article · Mon May 08 00:00:00 EDT 2017 · Biochemistry

DOI:https://doi.org/10.1021/acs.biochem.7b00019· OSTI ID:1376613

Bacik, John-Paul ^[1]; Mekasha, Sophanit ^[2]; Forsberg, Zarah ^[2];

^[3]; Vaaje-Kolstad, Gustav ^[2]; Eijsink, Vincent G. H. ^[2]; Nix, Jay C. ^[4]; Coates, Leighton ^[3];

^[3]; Unkefer, Clifford J. ^[1];

^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Norwegian Univ., of Life Sciences (NMBU), As (Norway). Faculty of Chemistry, Biotechnology and Food Science
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231; AC52-06NA25396

OSTI ID:: 1376613

Alternate ID(s):: OSTI ID: 1407879; OSTI ID: 1472029

Report Number(s):: LA-UR-16-29648; 101148

Journal Information:: Biochemistry, Vol. 56, Issue 20; ISSN 0006-2960

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 45 works

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References (28)

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Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases Forsberg, Z.; Mackenzie, A. K.; Sorlie, M. Proceedings of the National Academy of Sciences, Vol. 111, Issue 23 https://doi.org/10.1073/pnas.1402771111	journal	May 2014
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Complete genome sequence unveiled cellulose degradation enzymes and secondary metabolic potentials in Streptomyces sp. CC0208 Zhang, Hongyu; Dong, Shirui; Lou, Tingting Journal of Basic Microbiology, Vol. 59, Issue 3 https://doi.org/10.1002/jobm.201800563	journal	December 2018
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Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase Caldararu, Octav; Oksanen, Esko; Ryde, Ulf Chemical Science, Vol. 10, Issue 2 https://doi.org/10.1039/c8sc03980a	journal	January 2019
Improving the accuracy and resolution of neutron crystallographic data by three-dimensional profile fitting of Bragg peaks in reciprocal space Sullivan, Brendan; Archibald, Rick; Langan, Patricia S. Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 11 https://doi.org/10.1107/s2059798318013347	journal	October 2018
Molecular mechanism of lytic polysaccharide monooxygenases Hedegård, Erik Donovan; Ryde, Ulf Chemical Science, Vol. 9, Issue 15 https://doi.org/10.1039/c8sc00426a	journal	January 2018
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data Caldararu, Octav; Manzoni, Francesco; Oksanen, Esko Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 4 https://doi.org/10.1107/s205979831900175x	journal	March 2019
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Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes? Larsson, Ernst D.; Dong, Geng; Veryazov, Valera Dalton Transactions, Vol. 49, Issue 5 https://doi.org/10.1039/c9dt04486h	journal	January 2020
Bracing copper for the catalytic oxidation of C–H bonds Ciano, Luisa; Davies, Gideon J.; Tolman, William B. Nature Catalysis, Vol. 1, Issue 8 https://doi.org/10.1038/s41929-018-0110-9	journal	August 2018
Oxidoreductases and Reactive Oxygen Species in Conversion of Lignocellulosic Biomass Bissaro, Bastien; Várnai, Anikó; Røhr, Åsmund K. Microbiology and Molecular Biology Reviews, Vol. 82, Issue 4 https://doi.org/10.1128/mmbr.00029-18	journal	September 2018
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data Caldararu, Octav; Manzoni, Francesco; Oksanen, Esko International Union of Crystallography (IUCr) https://doi.org/10.1107/s205979831900175x/ei5038sup1.pdf	text	January 2019
Molecular mechanism of lytic polysaccharide monooxygenases Hedegård, Erik D.; Ryde, Ulf arXiv https://doi.org/10.48550/arxiv.1801.07696	text	January 2018
Polysaccharide degradation by lytic polysaccharide monooxygenases Forsberg, Zarah; Sørlie, Morten; Petrović, Dejan Current Opinion in Structural Biology, Vol. 59 https://doi.org/10.1016/j.sbi.2019.02.015	journal	December 2019
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Oxidative Cleavage of Cellobiose by Lytic Polysaccharide Monooxygenase (LPMO)-Inspired Copper Complexes Neira, Andrea. C.; Martínez-Alanis, Paulina R.; Aullón, Gabriel ACS Omega, Vol. 4, Issue 6 https://doi.org/10.1021/acsomega.9b00785	journal	June 2019

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