Defining the hydrogen bond: An account (IUPAC Technical Report). Pure Appl Chem 83, 1619-1636 (2011).Arunan E, Desiraju G R, Klein R A, Sadlej J, Scheiner S, Alkorta I, Clary D C, Crabtree R H, Dannenberg J J, Hobza P, Kjaergaard H G, Legon A C, Mennucci B and Nesbitt D...
Defining the Hydrogen Bond: An Account (IUPAC Technical Report) Elangannan Arunan, et al. Pure and Applied Chemistry, 2011 Vol. 83, No. 8, pp. 1619–1636 and Definition of the Hydrogen Bond (IUPAC Recommendations 2011) Ibid, Vol. 83, No. 8, pp. 1637–1641 The term “hydr...
摘要: Based on a recent definition of hydrogen-bond energy the hydrogen bond in [HCOO…H…F] is weaker than that in [F…H…F] , although the former still ranks as a very strong hydrogen bond.DOI: 10.1016/0009-2614(79)80304-8 被引量: 38 ...
The hydroxyl group in the side chain of serine or threonine performs the hydrogen bond donor function that is necessary for the catalytic transfer of the N-glycan to asparagine [5]. However, the presence of this motif is not sufficient for, and does not always result in, glycosylation. It ...
The buffer-independent enthalpy will be composed of the intrinsic binding enthalpy (that is, the overall enthalpy as a result of the net balance between formation/breakdown of van der Waals, electrostatic, and hydrogen-bond interactions between the binding partners and the solvent) plus the ...
In Fig. 1A showing the protein-ligand docking result, His493 is located near the FAD and 2.65 Å away from the hydrogen atom of 3-hydroxyl group of the glucose of CK. Therefore, His493 was expected to be the catalytic residue responsible for the deprotonation reaction. To verify ...
In particular, modelling of peptide binding to the receptor suggests that both amylin and CGRP form an H-bond between T30 of the peptide and D101 of the receptor, while V32 contacts a hydrophobic patch comprised of W79, F102 and Y131 (Figure 3c). An Ala scan of an amylin analogue ...
Most HDX-MS studies have reported protection from deuterium exchange in proteins upon binding ligand, which typically occurs due to hydrogen bond formation between the ligand and protein. However, enhanced deuterium exchange upon ligand binding can occur if a protein conformational change must occur fro...
Binding and cleavage analyses of multiple mutants at positions Y80 and H116 underscore the role these residues play in protein-DNA interaction and implicate their potential involvement as a hydrogen bond donor in recognition of deaminated DNA bases. DNA cleavage analysis using mutants defective in ...
In this study, we have characterized a group of novel human antibodies principally derived from convalescent blood samples and describe the nature and dynamics of their interactions with wild-type Spike protein and its variants. Using hydrogen-deuterium exchange mass spectrometry (HDXMS), in vitro as...