Results 1 to 10 of about 201,725 (322)

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, Hironari Kamikubo, Mikio Kataoka, Masanori Tachikawa   +3 more
doaj   +4 more sources

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   +4 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   +5 more sources

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: apo protein at 0.79 Å, precovalent complex with nonelectrophilic ligand at 0.89 Å, and acylation ...
Nichols DA, Hargis JC, Sanishvili R, Jaishankar P, Defrees K, Smith EW, Wang KK, Prati F, Renslo AR, Woodcock HL, Chen Y.   +10 more
europepmc   +8 more sources

Interrogating Low Barrier Hydrogen Bonds with Neutrons, X-rays, and Computation [PDF]

Structural Dynamics
Low barrier hydrogen bonds (LBHBs) are H-bonds where the barrier to proton transfer from the donor to the acceptor atom is comparable to the quantum mechanical zero-point energy of the interaction, resulting in proton delocalization.
Jiusheng Lin, Oksana Gerlits, Daniel W. Kneller, Kevin L. Weiss, Leighton Coates, Mark A. Hix, Solomon Y. Effah, Andrey Kovalevsky, Alice R. Walker, Mark A. Wilson   +9 more
doaj   +3 more sources

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, R Chitra, Lata Panicker   +2 more
doaj   +2 more sources

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, Hironari Kamikubo, Kazuo Kurihara, Ryota Kuroki, Nobuo Niimura, Nobutaka Shimizu, Yoichi Yamazaki, Mikio Kataoka   +7 more
openalex   +3 more sources

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, Hiroyuki Tamura, Keisuke Saito, Hiroshi Ishikita   +3 more
doaj   +3 more sources

A New Low-Barrier Hydrogen Bond System: Free-Base Corrole Anion [PDF]

, 2023
Free-base corroles have long been known to be acidic, readily undergoing deprotonation by mild bases and in polar solvents. The conjugate base, however, has not been structurally characterized until now. Presented here is a first crystal structure of a free-base corrole anion, derived from tris(p-cyanophenyl)corrole, as the tetrabuylammonium salt.
Arup Tarai, Jyoti Prakash Mallick, Pranjali Singh, Jeanet Conradie, Sanjib Kar, Abhik Ghosh   +5 more
openalex   +2 more sources

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
Mandal M, Saito K, Ishikita H.
europepmc   +2 more sources