Low-Barrier Hydrogen Bond in Fujikurin A–D: A Computational Study [PDF]
ACS Omega, 2022 The compounds Fujikurin A, B, and D, recently isolated from Fusarium fujikuroi, possess intramolecular low-barrier hydrogen bonds (LBHBs), which are hydrogen bonds with a very low-energy barrier for proton transfer. The isolated compounds have a hydrogen-
Hikaru Tanaka +3 more
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Direct evidence of a low barrier hydrogen bond in the catalytic triad of a Serine protease [PDF]
Scientific Reports, 2018 Serine proteases are one of the largest groups of enzymes, found in both eukaryotes and prokaryotes, and are responsible for many different functions. The detailed information about the hydrogen-bonds in the catalytic triad (Asp…His…Ser) of these enzymes
Peter Agback, Tatiana Agback
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Contribution of a Low-Barrier Hydrogen Bond to Catalysis Is Not Significant in Ketosteroid Isomerase [PDF]
Molecules and Cells, 2015 Low-barrier hydrogen bonds (LBHBs) have been proposed to have important influences on the enormous reaction rate increases achieved by many enzymes.
Do Soo Jang +7 more
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Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein [PDF]
Computational and Structural Biotechnology Journal, 2016 Photoactive yellow protein (PYP) has a characteristic hydrogen bond (H bond) between p-coumaric acid chromophore and Glu46, whose OH bond length has been observed to be 1.21 Å by the neutron diffraction technique [Proc. Natl. Acad. Sci.
Yusuke Kanematsu +3 more
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A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad [PDF]
Science Advances, 2018 Substrate participation in forming a catalytic triad aids in antibiotic resistance by aminoglycoside N3-acetyltransferases. One group of enzymes that confer resistance to aminoglycoside antibiotics through covalent modification belongs to the GCN5 ...
Prashasti Kumar +2 more
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Distinction between low-barrier hydrogen bond and ordinary hydrogen bond: a case study of varying nature of charge assisted hydrogen bonds of diglycine perchlorate crystal [PDF]
Materials Research Express, 2023 Hydrogen bonding is a complex phenomenon that is a resultant of many energy components like the electrostatic, dispersive, covalent, charge cloud overlap repulsion etc, nature of hydrogen bond (H-bond) depends on which of these components play a dominant
Rajul Ranjan Choudhury +2 more
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An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction [PDF]
Chem Sci, 2022 Pyridoxal 5′-phosphate (PLP)-dependent enzymes have been extensively studied for their ability to fine-tune PLP cofactor electronics to promote a wide array of chemistries.
Victoria N. Drago +9 more
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Low-barrier hydrogen bond in photoactive yellow protein [PDF]
Proceedings of the National Academy of Sciences, 2009 Low-barrier hydrogen bonds (LBHBs) have been proposed to play roles in protein functions, including enzymatic catalysis and proton transfer. Transient formation of LBHBs is expected to stabilize specific reaction intermediates. However, based on experimental results and theoretical considerations, arguments against the importance of LBHB in proteins ...
Shigeo Yamaguchi +7 more
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Breaking the low barrier hydrogen bond in a serine protease [PDF]
Protein Science, 1999 AbstractThe serine protease subtilisin BPN' is a useful catalyst for peptide synthesis when dissolved in high concentrations of a water‐miscible organic co‐solvent such as N, N‐dimethylformamide (DMF). However, in 50% DMF, the kcat for amide hydrolysis is two orders of magnitude lower than in aqueous solution.
Richard Kidd +5 more
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Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N2H7+ [PDF]
The Journal of Chemical Physics, 2008 The microscopic origin and quantum effects of the low barrier hydrogen bond (LBHB) in the proton-bound ammonia dimer cation N(2)H(7) (+) were studied by means of ab initio and density-functional theory (DFT) methods.
Pablo García‐Fernández +5 more
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