scholarly journals Mapping the protonation states of the histidine brace in an AA10 lytic polysaccharide monooxygenase using CW-EPR spectroscopy and DFT calculations

2021 ◽  
Author(s):  
Peter J Lindley ◽  
Alison Parkin ◽  
Gideon Davies ◽  
Paul Howard Walton
Keyword(s):  
Dft Calculations ◽  
Epr Spectroscopy ◽  
Active Site ◽  
Copper Ion ◽  
Lytic Polysaccharide Monooxygenase ◽  
Polysaccharide Monooxygenase

The active site of the polysaccharide-degrading lytic polysaccharide monooxygenase (LPMO) enzymes features a single copper ion coordinated by a histidine brace. The primary coordnation sphere of the copper contains several...

scholarly journals Probing Active-Site Relocation in Cu/SSZ-13 SCR Catalysts during Hydrothermal Aging by In Situ EPR Spectroscopy, Kinetics Studies, and DFT Calculations

ACS Catalysis ◽  
2020 ◽  
Vol 10 (16) ◽  
pp. 9410-9419 ◽  
Author(s):  
Yani Zhang ◽  
Yue Peng ◽  
Junhua Li ◽  
Kyle Groden ◽  
Jean-Sabin McEwen ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Epr Spectroscopy ◽  
Active Site ◽  
Hydrothermal Aging ◽  
Kinetics Studies ◽  
Scr Catalysts

Unfolding of CBP21, a lytic polysaccharide monooxygenase, without dissociation of its copper ion cofactor

Biopolymers ◽  
2019 ◽  
Vol 111 (1) ◽  
Author(s):  
Hayuki Sugimoto ◽  
Yuichi Nakajima ◽  
Ayaka Motoyama ◽  
Erina Katagiri ◽  
Takeshi Watanabe ◽  
...  
Keyword(s):  
Copper Ion ◽  
Lytic Polysaccharide Monooxygenase ◽  
Polysaccharide Monooxygenase

scholarly journals Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase

2016 ◽  
Vol 129 (3) ◽  
pp. 785-788 ◽  
Author(s):  
William B. O'Dell ◽  
Pratul K. Agarwal ◽  
Flora Meilleur
Keyword(s):  
Active Site ◽  
Oxygen Activation ◽  
Lytic Polysaccharide Monooxygenase ◽  
Polysaccharide Monooxygenase

scholarly journals The role of the active site tyrosine in the mechanism of lytic polysaccharide monooxygenase

2021 ◽  
Vol 12 (1) ◽  
pp. 352-362
Author(s):  
Aina McEvoy ◽  
Joel Creutzberg ◽  
Raushan K. Singh ◽  
Morten J. Bjerrum ◽  
Erik D. Hedegård
Keyword(s):  
Active Site ◽  
Lytic Polysaccharide Monooxygenase ◽  
Lytic Polysaccharide Monooxygenases ◽  
Polysaccharide Monooxygenases ◽  
Active Site Tyrosine ◽  
Polysaccharide Monooxygenase

With QM/MM, we investigate the mechanism of tyrosine deprotonation in lytic polysaccharide monooxygenases. Our results support deprotonation and our calculated UV-vis spectra show that two isomers must be formed to match recent experiments.

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