Results 11 to 20 of about 207,343 (281)

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-bonded proton that appears to rapidly switch between two equilibrium states via a transition state (
Tanaka H, Kuwahata K, Tachikawa M, Udagawa T.   +3 more
europepmc   +3 more sources

Contribution of a low-barrier hydrogen bond to catalysis is not significant in ketosteroid isomerase. [PDF]

Mol Cells, 2015
Low-barrier hydrogen bonds (LBHBs) have been proposed to have important influences on the enormous reaction rate increases achieved by many enzymes. Δ(5)-3-ketosteroid isomerase (KSI) catalyzes the allylic isomerization of Δ(5)-3-ketosteroid to its conjugated Δ(4)-isomers at a rate that approaches the diffusion limit. Tyr14, a catalytic residue of KSI,
Jang DS, Choi G, Cha HJ, Shin S, Hong BH, Lee HJ, Lee HC, Choi KY.   +7 more
europepmc   +5 more sources

Low barrier hydrogen bonds in protein structure and function

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, 2021
Low-barrier hydrogen bonds (LBHBs) are a special type of short hydrogen bond (HB) that is characterized by the equal sharing of a hydrogen atom. The existence and catalytic role of LBHBs in proteins has been intensely contested. Advancements in X-ray and neutron diffraction methods has revealed delocalized hydrogen atoms involved in potential LBHBs in ...
M Trent, Kemp, Eric M, Lewandowski, Yu, Chen   +2 more
openaire   +3 more sources

Environmental Contributions to Proton Sharing in Protein Low-Barrier Hydrogen Bonds. [PDF]

Biochemistry
Hydrogen bonds (H-bonds) are central to biomolecular structure and dynamics. Although H-bonds are typically characterized by well-defined proton positions, proton delocalization has been proposed to play a role in facilitating enzyme catalysis and allostery in some systems.
Lin J, Gerlits O, Kneller DW, Weiss KL, Coates L, Clarke JL, Hix MA, Effah SY, Kovalevsky A, Walker AR, Wilson MA.   +10 more
europepmc   +7 more sources

A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad. [PDF]

Sci Adv, 2018
Substrate participation in forming a catalytic triad aids in antibiotic resistance by aminoglycoside N3 -acetyltransferases.
Kumar P, Serpersu EH, Cuneo MJ.
europepmc   +4 more sources

Remarkable Single Atom Catalyst of Transition Metal (Fe, Co & Ni) Doped on C₂N Surface for Hydrogen Dissociation Reaction

Nanomaterials, 2022
Currently, hydrogen is recognized as the best alternative for fossil fuels because of its sustainable nature and environmentally friendly processing. In this study, hydrogen dissociation reaction is studied theoretically on the transition metal doped ...
Ahmed Bilal Shah, Sehrish Sarfaraz, Muhammad Yar, Nadeem S. Sheikh, Hassan H. Hammud, Khurshid Ayub   +5 more
doaj   +1 more source

Direct evidence of a low barrier hydrogen bond in the catalytic triad of a Serine protease. [PDF]

Sci Rep, 2018
AbstractSerine 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 is of importance in order to fully understand the mechanism of action. The aspartate of the
Agback P, Agback T.
europepmc   +4 more sources

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.
R D, Kidd, P, Sears, D H, Huang, K, Witte, C H, Wong, G K, Farber   +5 more
openaire   +2 more sources

Molecular probe dynamics reveals suppression of ice-like regions in strongly confined supercooled water. [PDF]

PLoS ONE, 2012
The structure of the hydrogen bond network is a key element for understanding water's thermodynamic and kinetic anomalies. While ambient water is strongly believed to be a uniform, continuous hydrogen-bonded liquid, there is growing consensus that ...
Debamalya Banerjee, Shrivalli N Bhat, Subray V Bhat, Dino Leporini   +3 more
doaj   +1 more source

Protonation Equilibrium in the Active Site of the Photoactive Yellow Protein

Molecules, 2021
The role and existence of low-barrier hydrogen bonds (LBHBs) in enzymatic and protein activity has been largely debated. An interesting case is that of the photoactive yellow protein (PYP).
Pablo Campomanes, Stefano Vanni
doaj   +1 more source