Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography [PDF]
J Am Chem Soc, 2015 Ligand binding can change the pKa of protein residues and influence enzyme catalysis. Herein, we report three ultrahigh resolution X-ray crystal structures of CTX-M β-lactamase, directly visualizing protonation state changes along the enzymatic pathway ...
Derek A. Nichols +10 more
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15N and 1H Solid-State NMR Investigation of a Canonical Low-Barrier Hydrogen-Bond Compound: 1,8-Bis(dimethylamino)naphthalene [PDF]
J Phys Chem B, 2015 Strong or low-barrier hydrogen bonds have often been proposed in proteins to explain enzyme catalysis and proton-transfer reactions. So far (1)H chemical shifts and scalar couplings have been used as the main NMR spectroscopic signatures for strong H ...
Paul B. White, Mei Hong
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A new role of low barrier hydrogen bond in mediating protein stability by small molecules [PDF]
bioRxiv, 2021 Low barrier hydrogen bond (LBHB) is a special type of hydrogen bond which occurs where two heteroatoms with similar pKa values share a single proton resulting in an unusually strong and short hydrogen bond. LBHBs in protein play important roles in enzyme
Jianhong Yang +14 more
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Absorption wavelength along chromophore low-barrier hydrogen bonds
iScience, 2022 Summary: In low-barrier hydrogen bonds (H-bonds), the pKa values for the H-bond donor and acceptor moieties are nearly equal, whereas the redox potential values depend on the H+ position. Spectroscopic details of low-barrier H-bonds remain unclear. Here,
Masaki Tsujimura +3 more
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline [PDF]
ACS Med Chem Lett, 2023 Joanna Słabońska +3 more
europepmc +3 more sources
Journal of the American Chemical Society, 2016 There has been considerable debate on the existence of a low-barrier hydrogen bond (LBHB) in the photoactive yellow protein (PYP). The debate was initially triggered by the neutron diffraction study of Yamaguchi et al. ( Proc. Natl. Acad. Sci., U. S. A. ,
Timo Graen +4 more
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Proceedings of the National Academy of Sciences of the United States of America, 1996 Delta 5-3-Ketosteroid isomerase (EC 5.3.3.1) promotes an allylic rearrangement involving intramolecular proton transfer via a dienolic intermediate. This enzyme enhances the catalytic rate by a factor of 10(10).
Qian Zhao +3 more
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Low Barrier Hydrogen Bond Is Absent in the Catalytic Triads in the Ground State but Is Present in a Transition-state Complex in the Prolyl Oligopeptidase Family of Serine Proteases [PDF]
Journal of Biological Chemistry, 1997 High frequency proton NMR spectra for two members of the prolyl oligopeptidase class of serine proteases, prolyl oligopeptidase and oligopeptidase B, showed that resonances corresponding to the active center histidine Nδ1H and Nε2H generally observed in ...
Ara Kahyaoglu +6 more
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Release of a Proton and Formation of a Low-Barrier Hydrogen Bond between Tyrosine D and D2-His189 in Photosystem II [PDF]
ACS Phys Chem Au, 2022 Manoj Mandal +2 more
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The Low Barrier Hydrogen Bond in Enzymatic Catalysis* [PDF]
Journal of Biological Chemistry, 1998 W. Cleland, P. Frey, J. Gerlt
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