Results 21 to 30 of about 96,443 (174)

Short hydrogen bonds in the catalytic mechanism of serine proteases [PDF]

Journal of the Serbian Chemical Society, 2008
The survey of crystallographic data from the Protein Data Bank for 37 structures of trypsin and other serine proteases at a resolution of 0.78–1.28 Å revealed the presence of hydrogen bonds in the active site of the enzymes, which are formed between the ...
VLADIMIR LESKOVAC, SVETLANA TRIVIC, DRAGINJA PERICIN, MIRA POPOVIC, JULIJAN KANDRAC   +4 more
doaj   +3 more sources

Solid‐State ¹⁷O NMR Reveals Hydrogen‐Bonding Energetics: Not All Low‐Barrier Hydrogen Bonds Are Strong

Angewandte Chemie International Edition, 2017
AbstractWhile NMR and IR spectroscopic signatures and structural characteristics of low‐barrier hydrogen bond (LBHB) formation are well documented in the literature, direct measurement of the LBHB energy is difficult. Here, we show that solid‐state 17O NMR spectroscopy can provide unique information about the energy required to break a LBHB.
Jiasheng Lu, Ivan Hung, Andreas Brinkmann, Zhehong Gan, Xianqi Kong, Gang Wu   +5 more
openalex   +7 more sources

Identification of the protonation and oxidation states of the oxygen-evolving complex in the low-dose X-ray crystal structure of photosystem II

Frontiers in Plant Science, 2023
In photosystem II (PSII), the O3 and O4 sites of the Mn4CaO5 cluster form hydrogen bonds with D1-His337 and a water molecule (W539), respectively. The low-dose X-ray structure shows that these hydrogen bond distances differ between the two homogeneous ...
Keisuke Saito, Keisuke Saito, Shu Nakao, Hiroshi Ishikita, Hiroshi Ishikita   +4 more
doaj   +1 more source

Symmetry of Hydrogen Bonds: Application of NMR Method of Isotopic Perturbation and Relevance of Solvatomers

Molecules, 2023
Short, strong, symmetric, low-barrier hydrogen bonds (H-bonds) are thought to be of special significance. We have been searching for symmetric H-bonds by using the NMR technique of isotopic perturbation.
Charles L. Perrin
doaj   +1 more source

Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps

IUCrJ, 2021
Triosephosphate isomerase (TIM) is a key enzyme in glycolysis that catalyses the interconversion of glyceraldehyde 3-phosphate and dihydroxyacetone phosphate.
Vinardas Kelpšas, Octav Caldararu, Matthew P. Blakeley, Nicolas Coquelle, Rikkert K. Wierenga, Ulf Ryde, Claes von Wachenfeldt, Esko Oksanen   +7 more
doaj   +1 more source

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 ...
Yu Chen, M. Trent Kemp, Eric M. Lewandowski   +2 more
openaire   +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

Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates

Proceedings of the National Academy of Sciences of the United States of America, 2006
Amit Das, Vishal Prashar, Smita D. Mahale, Laurence Serre, J.-L. Ferrer, M.V. Hosur   +5 more
openalex   +2 more sources

Interplay of two low-barrier hydrogen bonds in long-distance proton-coupled electron transfer for water oxidation

PNAS Nexus, 2023
D1-Tyr161 (TyrZ) forms a low-barrier H-bond with D1-His190 and functions as a redox-active group in photosystem II. When oxidized to the radical form (TyrZ-O•), it accepts an electron from the oxygen-evolving Mn4CaO5 cluster, facilitating an increase in ...
Keisuke Saito, Shunya Nishio, Hiroshi Ishikita   +2 more
semanticscholar   +1 more source

Intramolecular OHO Hydrogen Bonding in Dibenzoylmethane Enol: Raman Spectroscopic and Quantum Chemical Study

Micro, 2023
In the present work, the intramolecular O-H···O hydrogen bonding in 3-hydroxy-1,3-diphenylprop-2-en-1-one (keto-enol form of dibenzoylmethane, DBM) was investigated.
Boris A. Kolesov, Elena A. Pritchina, Aleksey Ya. Tikhonov   +2 more
doaj   +1 more source