Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation
- Authors:
-
- 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)
- Publication Date:
- Research Org.:
- 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 Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
- OSTI Identifier:
- 1376613
- Alternate Identifier(s):
- OSTI ID: 1407879; OSTI ID: 1472029
- Report Number(s):
- LA-UR-16-29648
Journal ID: ISSN 0006-2960; 101148
- Grant/Contract Number:
- AC05-00OR22725; AC02-05CH11231; AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Biochemistry
- Additional Journal Information:
- Journal Volume: 56; Journal Issue: 20; Journal ID: ISSN 0006-2960
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 59 BASIC BIOLOGICAL SCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Biological Science; biofuel neutron crystallography structure protein enzyme
Citation Formats
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., and Chen, Julian C. -H. Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation. United States: N. p., 2017.
Web. doi:10.1021/acs.biochem.7b00019.
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. Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation. United States. https://doi.org/10.1021/acs.biochem.7b00019
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., and Chen, Julian C. -H. Mon .
"Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation". United States. https://doi.org/10.1021/acs.biochem.7b00019. https://www.osti.gov/servlets/purl/1376613.
@article{osti_1376613,
title = {Neutron and Atomic Resolution X-ray Structures of a Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence for N-Terminal Deprotonation},
author = {Bacik, John-Paul and Mekasha, Sophanit and Forsberg, Zarah and Kovalevsky, Andrey Y. and Vaaje-Kolstad, Gustav and Eijsink, Vincent G. H. and Nix, Jay C. and Coates, Leighton and Cuneo, Matthew J. and Unkefer, Clifford J. and Chen, Julian C. -H.},
abstractNote = {},
doi = {10.1021/acs.biochem.7b00019},
journal = {Biochemistry},
number = 20,
volume = 56,
place = {United States},
year = {Mon May 08 00:00:00 EDT 2017},
month = {Mon May 08 00:00:00 EDT 2017}
}
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Works referenced in this record:
An Oxidative Enzyme Boosting the Enzymatic Conversion of Recalcitrant Polysaccharides
journal, October 2010
- Vaaje-Kolstad, Gustav; Westereng, Bjørge; Horn, Svein J.
- Science, Vol. 330, Issue 6001, p. 219-222
Novel enzymes for the degradation of cellulose
journal, January 2012
- Horn, Svein; Vaaje-Kolstad, Gustav; Westereng, Bjørge
- Biotechnology for Biofuels, Vol. 5, Issue 1, Article No. 45
On the catalytic mechanisms of lytic polysaccharide monooxygenases
journal, April 2016
- Walton, Paul H.; Davies, Gideon J.
- Current Opinion in Chemical Biology, Vol. 31
Spectroscopic and computational insight into the activation of O2 by the mononuclear Cu center in polysaccharide monooxygenases
journal, June 2014
- Kjaergaard, C. H.; Qayyum, M. F.; Wong, S. D.
- Proceedings of the National Academy of Sciences, Vol. 111, Issue 24
Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases use a copper-oxyl, oxygen-rebound mechanism
journal, December 2013
- Kim, S.; Stahlberg, J.; Sandgren, M.
- Proceedings of the National Academy of Sciences, Vol. 111, Issue 1
Cellulose Degradation by Polysaccharide Monooxygenases
journal, June 2015
- Beeson, William T.; Vu, Van V.; Span, Elise A.
- Annual Review of Biochemistry, Vol. 84, Issue 1
Insights into the oxidative degradation of cellulose by a copper metalloenzyme that exploits biomass components
journal, August 2011
- Quinlan, R. J.; Sweeney, M. D.; Lo Leggio, L.
- Proceedings of the National Academy of Sciences, Vol. 108, Issue 37, p. 15079-15084
Structural and functional characterization of a small chitin-active lytic polysaccharide monooxygenase domain of a multi-modular chitinase from Jonesia denitrificans
journal, December 2015
- Mekasha, Sophanit; Forsberg, Zarah; Dalhus, Bjørn
- FEBS Letters, Vol. 590, Issue 1, p. 34-42
The Copper Active Site of CBM33 Polysaccharide Oxygenases
journal, April 2013
- Hemsworth, Glyn R.; Taylor, Edward J.; Kim, Robbert Q.
- Journal of the American Chemical Society, Vol. 135, Issue 16
Structural and Electronic Snapshots during the Transition from a Cu(II) to Cu(I) Metal Center of a Lytic Polysaccharide Monooxygenase by X-ray Photoreduction
journal, May 2014
- Gudmundsson, Mikael; Kim, Seonah; Wu, Miao
- Journal of Biological Chemistry, Vol. 289, Issue 27, p. 18782-18792
The molecular basis of polysaccharide cleavage by lytic polysaccharide monooxygenases
journal, February 2016
- Frandsen, Kristian E. H.; Simmons, Thomas J.; Dupree, Paul
- Nature Chemical Biology, Vol. 12, Issue 4
Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases
journal, May 2014
- Forsberg, Z.; Mackenzie, A. K.; Sorlie, M.
- Proceedings of the National Academy of Sciences, Vol. 111, Issue 23
Heterogeneity in the Histidine-brace Copper Coordination Sphere in Auxiliary Activity Family 10 (AA10) Lytic Polysaccharide Monooxygenases
journal, April 2016
- Chaplin, Amanda K.; Wilson, Michael T.; Hough, Michael A.
- Journal of Biological Chemistry, Vol. 291, Issue 24, p. 12838-12850
Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography
journal, September 2012
- Chen, J. C. - H.; Hanson, B. L.; Fisher, S. Z.
- Proceedings of the National Academy of Sciences, Vol. 109, Issue 38
Neutron and high-resolution room-temperature X-ray data collection from crystallized lytic polysaccharide monooxygenase
journal, October 2015
- Bacik, John-Paul; Mekasha, Sophanit; Forsberg, Zarah
- Acta Crystallographica Section F Structural Biology Communications, Vol. 71, Issue 11
Comparative Study of Two Chitin-Active and Two Cellulose-Active AA10-Type Lytic Polysaccharide Monooxygenases
journal, March 2014
- Forsberg, Zarah; Røhr, Åsmund Kjendseth; Mekasha, Sophanit
- Biochemistry, Vol. 53, Issue 10
Structural diversity of lytic polysaccharide monooxygenases
journal, June 2017
- Vaaje-Kolstad, Gustav; Forsberg, Zarah; Loose, Jennifer SM
- Current Opinion in Structural Biology, Vol. 44
Dioxygen Oxidation Cu(II) → Cu(III) in the Copper Complex of cyclo (Lys- d His-βAla-His): A Case Study by EXAFS and XANES Approach
journal, July 2012
- Pratesi, Alessandro; Giuli, Gabriele; Cicconi, Maria Rita
- Inorganic Chemistry, Vol. 51, Issue 15
Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement
journal, January 2009
- Blum, Marc-Michael; Mustyakimov, Marat; Rüterjans, Heinz
- Proceedings of the National Academy of Sciences, Vol. 106, Issue 3
Neutron Structure of Human Carbonic Anhydrase II: Implications for Proton Transfer
journal, January 2010
- Fisher, S. Zoë; Kovalevsky, Andrey Y.; Domsic, John F.
- Biochemistry, Vol. 49, Issue 3
Inhibition of D -xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography
journal, August 2012
- Kovalevsky, Andrey; Hanson, B. Leif; Mason, Sax A.
- Acta Crystallographica Section D Biological Crystallography, Vol. 68, Issue 9
Structural Basis for Substrate Targeting and Catalysis by Fungal Polysaccharide Monooxygenases
journal, June 2012
- Li, Xin; Beeson, William T.; Phillips, Christopher M.
- Structure, Vol. 20, Issue 6, p. 1051-1061
Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase
journal, December 2016
- O'Dell, William B.; Agarwal, Pratul K.; Meilleur, Flora
- Angewandte Chemie International Edition, Vol. 56, Issue 3
Characterization of Copper(III)−Tetrapeptide Complexes with Histidine as the Third Residue
journal, July 1997
- McDonald, Michael R.; Fredericks, Francoise C.; Margerum, Dale W.
- Inorganic Chemistry, Vol. 36, Issue 14
Model Studies on the Coordination of Copper in Biological Systems. The Deprotonated Peptide Nitrogen as a Potential Binding Site for Copper(II)
journal, August 1980
- Kroneck, Peter M. H.; Vortisch, Volker; Hemmerich, Peter
- European Journal of Biochemistry, Vol. 109, Issue 2
Characterization of the Chitinolytic Machinery of Enterococcus faecalis V583 and High-Resolution Structure of Its Oxidative CBM33 Enzyme
journal, February 2012
- Vaaje-Kolstad, Gustav; Bøhle, Liv Anette; Gåseidnes, Sigrid
- Journal of Molecular Biology, Vol. 416, Issue 2
Structural and Functional Analysis of a Lytic Polysaccharide Monooxygenase Important for Efficient Utilization of Chitin in Cellvibrio japonicus
journal, February 2016
- Forsberg, Zarah; Nelson, Cassandra E.; Dalhus, Bjørn
- Journal of Biological Chemistry, Vol. 291, Issue 14
Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity
journal, July 2015
- Borisova, Anna S.; Isaksen, Trine; Dimarogona, Maria
- Journal of Biological Chemistry, Vol. 290, Issue 38
Works referencing / citing this record:
Neutron macromolecular crystallography
journal, February 2018
- Blakeley, Matthew P.; Podjarny, Alberto D.
- Emerging Topics in Life Sciences, Vol. 2, Issue 1
Neutron scattering in the biological sciences: progress and prospects
journal, December 2018
- Ashkar, Rana; Bilheux, Hassina Z.; Bordallo, Heliosa
- Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 12
Complete genome sequence unveiled cellulose degradation enzymes and secondary metabolic potentials in Streptomyces sp. CC0208
journal, December 2018
- Zhang, Hongyu; Dong, Shirui; Lou, Tingting
- Journal of Basic Microbiology, Vol. 59, Issue 3
Instrument and shielding design of a neutron diffractometer at J-PARC for protein crystallography covering crystals with large unit-cell volume
journal, April 2018
- Kurihara, Kazuo; Hirano, Yu; Oikawa, Kenichi
- Journal of Applied Crystallography, Vol. 51, Issue 3
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase
journal, January 2019
- Caldararu, Octav; Oksanen, Esko; Ryde, Ulf
- Chemical Science, Vol. 10, Issue 2
Improving the accuracy and resolution of neutron crystallographic data by three-dimensional profile fitting of Bragg peaks in reciprocal space
journal, October 2018
- Sullivan, Brendan; Archibald, Rick; Langan, Patricia S.
- Acta Crystallographica Section D Structural Biology, Vol. 74, Issue 11
Molecular mechanism of lytic polysaccharide monooxygenases
journal, January 2018
- Hedegård, Erik Donovan; Ryde, Ulf
- Chemical Science, Vol. 9, Issue 15
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data
journal, March 2019
- Caldararu, Octav; Manzoni, Francesco; Oksanen, Esko
- Acta Crystallographica Section D Structural Biology, Vol. 75, Issue 4
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data. Corrigendum
journal, January 2020
- Caldararu, Octav; Manzoni, Francesco; Oksanen, Esko
- Acta Crystallographica Section D Structural Biology, Vol. 76, Issue 1
Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes?
journal, January 2020
- Larsson, Ernst D.; Dong, Geng; Veryazov, Valera
- Dalton Transactions, Vol. 49, Issue 5
Bracing copper for the catalytic oxidation of C–H bonds
journal, August 2018
- Ciano, Luisa; Davies, Gideon J.; Tolman, William B.
- Nature Catalysis, Vol. 1, Issue 8
Oxidoreductases and Reactive Oxygen Species in Conversion of Lignocellulosic Biomass
journal, September 2018
- Bissaro, Bastien; Várnai, Anikó; Røhr, Åsmund K.
- Microbiology and Molecular Biology Reviews, Vol. 82, Issue 4
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data
text, January 2019
- Caldararu, Octav; Manzoni, Francesco; Oksanen, Esko
- International Union of Crystallography (IUCr)
Molecular mechanism of lytic polysaccharide monooxygenases
text, January 2018
- Hedegård, Erik D.; Ryde, Ulf
- arXiv
Polysaccharide degradation by lytic polysaccharide monooxygenases
journal, December 2019
- Forsberg, Zarah; Sørlie, Morten; Petrović, Dejan
- Current Opinion in Structural Biology, Vol. 59
Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions
journal, September 2021
- Gajdos, Lukas; Blakeley, Matthew P.; Kumar, Atul
- Structure, Vol. 29, Issue 9
Oxidative Cleavage of Cellobiose by Lytic Polysaccharide Monooxygenase (LPMO)-Inspired Copper Complexes
journal, June 2019
- Neira, Andrea. C.; Martínez-Alanis, Paulina R.; Aullón, Gabriel
- ACS Omega, Vol. 4, Issue 6