ArticleJournal of the American Chemical Society2015
Interactions between Hofmeister anions and the binding pocket of a protein.
Article in Journal of the American Chemical Society, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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Who cites it
33 citing papers in PubMed.
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- Proline-based tripodal cages with guest-adaptive features for capturing hydrophilic and amphiphilic fluoride substances.Nature communications · 2025Article
- Anion-Facilitated Hydrogen-Deuterium Exchange as a Tool to Probe Weak Anion-Protein Interactions Responsible for Hofmeister Effects.The journal of physical chemistry. B · 2025Article
- Complexity associated with caprylate binding to bovine serum albumin: Dimerization, allostery, and variance between the change in free energy and enthalpy of binding.Protein science : a publication of the Protein Society · 2024Article
- Unlocking chloride sensing in the red at physiological pH with a fluorescent rhodopsin-based host.Chemical communications (Cambridge, England) · 2023Article
- Ins and Outs of Rocker Switch Mechanism in Major Facilitator Superfamily of Transporters.Membranes · 2023Review
- Functional Hydrogels with Chondroitin Sulfate Release Properties Regulate the Angiogenesis Behaviors of Endothelial Cells.Gels (Basel, Switzerland) · 2022Article
- When Molecules Meet in Water-Recent Contributions of Supramolecular Chemistry to the Understanding of Molecular Recognition Processes in Water.ChemistryOpen · 2022Review
- Biophysical andChemical communications (Cambridge, England) · 2022Article
- Weakly hydrated anions bind to polymers but not monomers in aqueous solutions.Nature chemistry · 2022Article
- Reconsidering anion inhibitors in the general context of drug design studies of modulators of activity of the classical enzyme carbonic anhydrase.Journal of enzyme inhibition and medicinal chemistry · 2021Review
- The Effects of Temperature and Pressure on Protein-Ligand Binding in the Presence of Mars-Relevant Salts.Biology · 2021Article
- Anion Inhibition Studies of the Beta-Carbonic Anhydrase fromMolecules (Basel, Switzerland) · 2020Article
- Census of halide-binding sites in protein structures.Bioinformatics (Oxford, England) · 2020Article
- Modular Fabrication of Intelligent Material-Tissue Interfaces for Bioinspired and Biomimetic Devices.Progress in materials science · 2019Article
- The Chaotropic Effect as an Assembly Motif in Chemistry.Angewandte Chemie (International ed. in English) · 2018Review
- Thermal Activity in Affinity Separation Techniques Such as Liquid-Liquid Extraction Analyzed by Isothermal Titration Calorimetry and Accuracy Analysis of the Technique in the Molar Concentration Domain.Industrial & engineering chemistry research · 2018Article
- Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effect.Scientific reports · 2018Article
- The Thermodynamics of Anion Complexation to Nonpolar Pockets.The journal of physical chemistry. B · 2018Article
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8 authors.
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Abstract
This paper uses the binding pocket of human carbonic anhydrase II (HCAII, EC 4.2.1.1) as a tool to examine the properties of Hofmeister anions that determine (i) where, and how strongly, they associate with concavities on the surfaces of proteins and (ii) how, upon binding, they alter the structure of water within those concavities. Results from X-ray crystallography and isothermal titration calorimetry show that most anions associate with the binding pocket of HCAII by forming inner-sphere ion pairs with the Zn(2+) cofactor. In these ion pairs, the free energy of anion-Zn(2+) association is inversely proportional to the free energetic cost of anion dehydration; this relationship is consistent with the mechanism of ion pair formation suggested by the "law of matching water affinities". Iodide and bromide anions also associate with a hydrophobic declivity in the wall of the binding pocket. Molecular dynamics simulations suggest that anions, upon associating with Zn(2+), trigger rearrangements of water that extend up to 8 Å away from their surfaces. These findings expand the range of interactions previously thought to occur between ions and proteins by suggesting that (i) weakly hydrated anions can bind complementarily shaped hydrophobic declivities, and that (ii) ion-induced rearrangements of water within protein concavities can (in contrast with similar rearrangements in bulk water) extend well beyond the first hydration shells of the ions that trigger them. This study paints a picture of Hofmeister anions as a set of structurally varied ligands that differ in size, shape, and affinity for water and, thus, in their ability to bind to—and to alter the charge and hydration structure of—polar, nonpolar, and topographically complex concavities on the surfaces of proteins.
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