Molecular Recognition of Nucleotides. Concurrent Hydrogen Bonding and Electrostatic Interactions in the Two-Point Fixation of Flavin Mononucleotide

1990 ◽  
Vol 19 (4) ◽  
pp. 651-654 ◽  
Author(s):  
Yasuhiro Aoyama ◽  
Koji Mizokami ◽  
Hiroo Toi
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Recognition ◽  
Electrostatic Interactions ◽  
Flavin Mononucleotide

Influence of Electrostatic Interactions and Hydrogen Bonding on the Activity of Cyclodextrin-based Superoxide Dismutase Models

2001 ◽  
Vol 13 (5) ◽  
pp. 619-625 ◽  
Author(s):  
Alex Fragoso ◽  
Roberto Cao ◽  
Alicia Díz ◽  
Ileana Sånchez ◽  
Leticia Sånchez
Keyword(s):  
Superoxide Dismutase ◽  
Hydrogen Bonding ◽  
Electrostatic Interactions

scholarly journals The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

CrystEngComm ◽  
2015 ◽  
Vol 17 (20) ◽  
pp. 3768-3771 ◽  
Author(s):  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Tiddo J. Mooibroek ◽  
Jan Reedijk
Keyword(s):  
Hydrogen Bonding ◽  
Electron Donor ◽  
Molecular Hydrogen ◽  
Electrostatic Interactions ◽  
Lone Pair ◽  
Dft Study ◽  
Nitrogen Lone Pair

A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding.

Molecular recognition: hydrogen-bonding receptors that function in highly competitive solvents

1993 ◽  
Vol 115 (1) ◽  
pp. 369-370 ◽  
Author(s):  
Erkang Fan ◽  
Scott A. Van Arman ◽  
Scott Kincaid ◽  
Andrew D. Hamilton
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Recognition

scholarly journals Unexpected Specificity within Dynamic Transcriptional Protein-Protein Complexes

2020 ◽  
Author(s):  
Matthew J. Henley ◽  
Brian M. Linhares ◽  
Brittany S. Morgan ◽  
Tomasz Cierpicki ◽  
Carol A. Fierke ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Electrostatic Interactions ◽  
Protein Complexes ◽  
Critical Role ◽  
Gene Activation ◽  
Disordered Proteins ◽  
Conformational Ensemble ◽  
Regulation Of Transcription ◽  
Protein Protein Interaction ◽  
Eukaryotic Gene

AbstractA key functional event in eukaryotic gene activation is the formation of dynamic protein-protein interaction networks between transcriptional activators and transcriptional coactivators. Seemingly incongruent with the tight regulation of transcription, many biochemical and biophysical studies suggest that activators use nonspecific hydrophobic and/or electrostatic interactions to bind to coactivators, with few if any specific contacts. Here a mechanistic dissection of a set of representative dynamic activator•coactivator complexes, comprised of the ETV/PEA3 family of activators and the coactivator Med25, reveals a different molecular recognition model. The data demonstrate that small sequence variations within an activator family significantly redistribute the conformational ensemble of the complex while not affecting overall affinity, and distal residues within the activator—not often considered as contributing to binding—play a key role in mediating conformational redistribution. The ETV/PEA3•Med25 ensembles are directed by specific contacts between the disordered activator and the Med25 interface, which is facilitated by structural shifts of the coactivator binding surface. Taken together, these data highlight the critical role coactivator plasticity plays in recognition of disordered activators, and indicates that molecular recognition models of disordered proteins must consider the ability of the binding partners to mediate specificity.

Molecular Recognition and Photoprotection of Riboflavin in Water by a Biomimetic Host

2021 ◽  
Author(s):  
Hong Zhang ◽  
Li-Li Wang ◽  
Xin-Yu Pang ◽  
Liu-Pan Yang ◽  
Wei Jiang
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Recognition ◽  
Hydrophobic Effect ◽  
Water Soluble ◽  
Side Walls

A water-soluble tetralactam macrocycle with 2,6-diethoxynaphthalene group as side walls is able to strongly bind riboflavin (Ka >107 M−1) in water through hydrogen bonding and the hydrophobic effect. The encapsulated...

The Structure and Properties of Water

2016 ◽  
Author(s):  
Bruce C. Bunker ◽  
William H. Casey
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Bond Length ◽  
Electrostatic Interactions ◽  
Structure And Properties ◽  
Oxygen Anion ◽  
Lone Pairs ◽  
Tetrahedral Angle ◽  
Oxide Phases ◽  
Single Water Molecule

Water is one of the most complex fluids on Earth. Even after intense study, there are many aspects regarding the structure, properties, and chemistry of water that are not well understood. In this chapter, we highlight the attributes of water that dictate many of the reactions that take place between water and oxides. We start with a single water molecule and progress to water clusters, then finally to extended liquid and solid phases. This chapter provides a baseline for evaluating what happens when water encounters simple ions, soluble oxide complexes called hydrolysis products, and extended oxide phases. The primary phenomenon highlighted in this chapter is hydrogen bonding. Hydrogen bonding dominates the structure and properties of water and influences many water–oxide interactions. A single water molecule has eight valence electrons around a central oxygen anion. These electrons are contained in four sp3-hybridized molecular orbitals arranged as lobes that extend from the oxygen in a tetrahedral geometry. Each orbital is occupied by two electrons. Two of the lobes are bonded to protons; the other two lobes are referred to as lone pairs of electrons. The H–O–H bond angle of 104.5° is close to the tetrahedral angle of 109.5°. The O–H bond length in a single water molecule is 0.96 Ǻ. It is important to recognize that this bond length is really a measure of the electron density associated with the oxygen lone pair bonded to the proton. This is because a proton is so incredibly small (with an ionic radius of only 1.3·10−5 Ǻ) that it makes no contribution to the net bond length. The entire water molecule has a hard sphere diameter of 2.9 Ǻ, which is fairly typical for an oxygen anion. This means the unoccupied lone pairs are distended relative to the protonated lone pairs, extending out to roughly 1.9 Ǻ. The unequal distribution of charges introduces a dipole within the water molecule that facilitates electrostatic interactions with other molecules.

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