The realm of unconventional noncovalent interactions in proteins: their significance in structure and function

VA Adhav, K Saikrishnan - Acs Omega, 2023 - ACS Publications
Proteins and their assemblies are fundamental for living cells to function. Their complex
three-dimensional architecture and its stability are attributed to the combined effect of …

Low barrier hydrogen bonds in protein structure and function

MT Kemp, EM Lewandowski, Y Chen - Biochimica et Biophysica Acta (BBA) …, 2021 - Elsevier
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 …

Structural insights into functional properties of the oxidized form of cytochrome c oxidase

I Ishigami, RG Sierra, Z Su, A Peck, C Wang… - Nature …, 2023 - nature.com
Cytochrome c oxidase (C c O) is an essential enzyme in mitochondrial and bacterial
respiration. It catalyzes the four-electron reduction of molecular oxygen to water and …

True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins

V Borshchevskiy, K Kovalev, E Round… - Nature Structural & …, 2022 - nature.com
Hydrogen bonds are fundamental to the structure and function of biological macromolecules
and have been explored in detail. The chains of hydrogen bonds (CHBs) and low-barrier …

Low-barrier hydrogen bonds in enzyme cooperativity

S Dai, LM Funk, FR von Pappenheim, V Sautner… - Nature, 2019 - nature.com
The underlying molecular mechanisms of cooperativity and allosteric regulation are well
understood for many proteins, with haemoglobin and aspartate transcarbamoylase serving …

Intramolecular hydrogen bond energy and its decomposition—O–H∙∙∙ O interactions

SJ Grabowski - Crystals, 2020 - mdpi.com
The method to calculate the energy of intramolecular hydrogen bond is proposed and tested
for a sample of malonaldehyde and its fluorine derivatives; the corresponding calculations …

Effect of quantum nuclear motion on hydrogen bonding

RH McKenzie, C Bekker, B Athokpam… - The Journal of chemical …, 2014 - pubs.aip.org
This work considers how the properties of hydrogen bonded complexes, X–H⋯ Y, are
modified by the quantum motion of the shared proton. Using a simple two-diabatic state …

Unraveling the structural and chemical features of biological short hydrogen bonds

S Zhou, L Wang - Chemical Science, 2019 - pubs.rsc.org
The three-dimensional architecture of biomolecules often creates specialized structural
elements, notably short hydrogen bonds that have donor–acceptor separations below 2.7 Å …

[PDF][PDF] A comprehensive classification and nomenclature of carboxyl–carboxyl (ate) supramolecular motifs and related catemers: implications for biomolecular systems

L D'Ascenzo, P Auffinger - Acta Crystallographica Section B …, 2015 - journals.iucr.org
Carboxyl and carboxylate groups form important supramolecular motifs (synthons). Besides
carboxyl cyclic dimers, carboxyl and carboxylate groups can associate through a single …

Small molecules promote selective denaturation and degradation of tubulin heterodimers through a low-barrier hydrogen bond

J Yang, Y Li, Q Qiu, R Wang, W Yan, Y Yu… - Journal of Medicinal …, 2022 - ACS Publications
Here, we report a novel mechanism to selectively degrade target proteins. 3-(3-
Phenoxybenzyl) amino-β-carboline (PAC), a tubulin inhibitor, promotes selective …