Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.

Abstract:

:Dithioation of DNA phosphate is known to enhance binding affinities, at least for some proteins. We mechanistically characterized this phenomenon for the Antennapedia homeodomain-DNA complex by integrated use of fluorescence, isothermal titration calorimetry, NMR spectroscopy, and x-ray crystallography. By fluorescence and isothermal titration calorimetry, we found that this affinity enhancement is entropy driven. By NMR, we investigated the ionic hydrogen bonds and internal motions of lysine side-chain NH3(+) groups involved in ion pairs with DNA. By x-ray crystallography, we compared the structures of the complexes with and without dithioation of the phosphate. Our NMR and x-ray data show that the lysine side chain in contact with the DNA phosphate becomes more dynamic upon dithioation. Our thermodynamic, structural, and dynamic investigations collectively suggest that the affinity enhancement by the oxygen-to-sulfur substitution in DNA phosphate is largely due to an entropic gain arising from mobilization of the intermolecular ion pair at the protein-DNA interface.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Zandarashvili L,Nguyen D,Anderson KM,White MA,Gorenstein DG,Iwahara J

doi

10.1016/j.bpj.2015.07.032

subject

Has Abstract

pub_date

2015-09-01 00:00:00

pages

1026-37

issue

5

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(15)00767-5

journal_volume

109

pub_type

杂志文章
  • Potential and current distributions in a cylindrical bundle of cardiac tissue.

    abstract::The intracellular and interstitial potentials associated with each cell or fiber in multicellular preparations carrying a uniformly propagating wave are important for characterizing the electrophysiological behavior of the preparation and in particular, for evaluating the source contributed by each fiber. The aforemen...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(88)83172-2

    authors: Henriquez CS,Trayanova N,Plonsey R

    更新日期:1988-06-01 00:00:00

  • Dynamics-Driven Allostery Underlies Ca2+-Mediated Release of SERCA Inhibition by Phospholamban.

    abstract::Sarcoplasmic reticulum (SR) Ca2+-ATPase (SERCA) and phospholamban (PLB) are essential for intracellular Ca2+ transport in myocytes. Ca2+-dependent activation of SERCA-PLB provides a control function that regulates cytosolic and SR Ca2+ levels. Although experimental and computational studies alone have led to a greater...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2020.09.014

    authors: Raguimova ON,Aguayo-Ortiz R,Robia SL,Espinoza-Fonseca LM

    更新日期:2020-11-03 00:00:00

  • Calcium-actin waves and oscillations of cellular membranes.

    abstract::We propose a mechanism for the formation of membrane oscillations and traveling waves, which arise due to the coupling between the actin cytoskeleton and the calcium flux through the membrane. In our model, the fluid cell membrane has a mobile but constant population of proteins with a convex spontaneous curvature, wh...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2009.07.008

    authors: Veksler A,Gov NS

    更新日期:2009-09-16 00:00:00

  • Small-angle neutron scattering characterization of monoclonal antibody conformations and interactions at high concentrations.

    abstract::Small-angle neutron scattering (SANS) is used to probe the solution structure of two protein therapeutics (monoclonal antibodies 1 and 2 (MAb1 and MAb2)) and their protein-protein interaction (PPI) at high concentrations. These MAbs differ by small sequence alterations in the complementarity-determining region but sho...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2013.06.043

    authors: Yearley EJ,Zarraga IE,Shire SJ,Scherer TM,Gokarn Y,Wagner NJ,Liu Y

    更新日期:2013-08-06 00:00:00

  • Concerted gating mechanism underlying KATP channel inhibition by ATP.

    abstract::KATP channels assemble from four regulatory SUR1 and four pore-forming Kir6.2 subunits. At the single-channel current level, ATP-dependent gating transitions between the active burst and the inactive interburst conformations underlie inhibition of the KATP channel by intracellular ATP. Previously, we identified a slow...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(04)74269-1

    authors: Drain P,Geng X,Li L

    更新日期:2004-04-01 00:00:00

  • Thermodynamic analysis of chain-melting transition temperatures for monounsaturated phospholipid membranes: dependence on cis-monoenoic double bond position.

    abstract::Unsaturated phospholipid is the membrane component that is essential to the dynamic environment needed for biomembrane function. The dependence of the chain-melting transition temperature, T(t), of phospholipid bilayer membranes on the position, n(u), of the cis double bond in the glycerophospholipid sn-2 chain can be...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(99)76946-8

    authors: Marsh D

    更新日期:1999-08-01 00:00:00

  • Thermodynamic calculations for biochemical transport and reaction processes in metabolic networks.

    abstract::Thermodynamic analysis of metabolic networks has recently generated increasing interest for its ability to add constraints on metabolic network operation, and to combine metabolic fluxes and metabolite measurements in a mechanistic manner. Concepts for the calculation of the change in Gibbs energy of biochemical react...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2010.09.043

    authors: Jol SJ,Kümmel A,Hatzimanikatis V,Beard DA,Heinemann M

    更新日期:2010-11-17 00:00:00

  • Gating current harmonics. III. Dynamic transients and steady states with intact sodium inactivation gating.

    abstract::Internally perfused squid giant axons with intact sodium inactivation gating were prepared for gating current experiments. Gating current records were obtained in sinusoidally driven dynamic steady states and as dynamic transients as functions of the mean membrane potential and the frequency of the command sinusoid. C...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(86)83486-5

    authors: Fohlmeister JF,Adelman WJ Jr

    更新日期:1986-09-01 00:00:00

  • Helix conformations in 7TM membrane proteins determined using oriented-sample solid-state NMR with multiple residue-specific 15N labeling.

    abstract::Oriented solid-state NMR in combination with multiple-residue-specific (15)N labeling and extensive numerical spectral analysis is proposed to determine helix conformations of large membrane proteins in native membranes. The method is demonstrated on uniaxially oriented samples of (15)N-methionine, -valine, and -glyci...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.116004

    authors: Vosegaard T,Kamihira-Ishijima M,Watts A,Nielsen NC

    更新日期:2008-01-01 00:00:00

  • Dominant Driving Forces in Human Telomere Quadruplex Binding-Induced Structural Alterations.

    abstract::Recently various pathways of human telomere (ht) DNA folding into G-quadruplexes and of ligand binding to these structures have been proposed. However, the key issue as to the nature of forces driving the folding and recognition processes remains unanswered. In this study, structural changes of 22-mer ht-DNA fragment ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2015.05.001

    authors: Bončina M,Hamon F,Islam B,Teulade-Fichou MP,Vesnaver G,Haider S,Lah J

    更新日期:2015-06-16 00:00:00

  • Properties and structures of the influenza and HIV fusion peptides on lipid membranes: implications for a role in fusion.

    abstract::The fusion peptides of HIV and influenza virus are crucial for viral entry into a host cell. We report the membrane-perturbing and structural properties of fusion peptides from the HA fusion protein of influenza virus and the gp41 fusion protein of HIV. Our goals were to determine: 1), how fusion peptides alter struct...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.105.063032

    authors: Haque ME,Koppaka V,Axelsen PH,Lentz BR

    更新日期:2005-11-01 00:00:00

  • Dynamics at the protein-water interface from 17O spin relaxation in deeply supercooled solutions.

    abstract::Most of the decisive molecular events in biology take place at the protein-water interface. The dynamical properties of the hydration layer are therefore of fundamental importance. To characterize the dynamical heterogeneity and rotational activation energy in the hydration layer, we measured the (17)O spin relaxation...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.108.135194

    authors: Mattea C,Qvist J,Halle B

    更新日期:2008-09-15 00:00:00

  • Evaluation of the flow-dialysis technique for analysis of protein-ligand interactions: an experimental and a monte carlo study.

    abstract::Flow dialysis has found widespread use in determining the dissociation constant (KD) of a protein-ligand interaction or the amount of available binding sites (E0). This method has the potency to measure both these parameters in a single experiment and in this article a method to measure simultaneously the KD and E0 is...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(04)74259-9

    authors: Veldhuis G,Vos EP,Broos J,Poolman B,Scheek RM

    更新日期:2004-04-01 00:00:00

  • Spontaneous contractility-mediated cortical flow generates cell migration in three-dimensional environments.

    abstract::We present a model of cell motility generated by actomyosin contraction of the cell cortex. We identify, analytically, dynamical instabilities of the cortex and show that they yield steady-state cortical flows, which, in turn, can induce cell migration in three-dimensional environments. This mechanism relies on the re...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2011.07.038

    authors: Hawkins RJ,Poincloux R,Bénichou O,Piel M,Chavrier P,Voituriez R

    更新日期:2011-09-07 00:00:00

  • Time-Lapsing Perfusion: Proof of Concept of a Novel Method to Study Drug Delivery in Whole Organs.

    abstract::Perfusion is one of the most important processes maintaining organ health. From a computational perspective, however, perfusion is among the least-studied physiological processes of the heart. The recent development of novel nanoparticle-based targeted cardiac therapy calls for novel simulation methods that can provid...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2019.09.029

    authors: Diem AK,Valen-Sendstad K

    更新日期:2019-12-17 00:00:00

  • Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysis.

    abstract::A variety of experiments suggest that membrane proteins are important targets of anesthetic molecules, and that ion channels interact differently with anesthetics in their open and closed conformations. The availability of an open and a closed structural model for the KirBac1.1 potassium channel has made it possible t...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.119958

    authors: Vemparala S,Domene C,Klein ML

    更新日期:2008-06-01 00:00:00

  • The importance of thermodynamic equilibrium for high throughput gene expression arrays.

    abstract::We present an analysis of physical chemical constraints on the accuracy of DNA micro-arrays under equilibrium and nonequilibrium conditions. At the beginning of the article we describe an algorithm for choosing a probe set with high specificity for targeted genes under equilibrium conditions. The algorithm as well as ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(03)74837-1

    authors: Bhanot G,Louzoun Y,Zhu J,DeLisi C

    更新日期:2003-01-01 00:00:00

  • Effects of mRNA Degradation and Site-Specific Transcriptional Pausing on Protein Expression Noise.

    abstract::Genetically identical cells exhibit diverse phenotypes even when experiencing the same environment. This phenomenon in part originates from cell-to-cell variability (noise) in protein expression. Although various kinetic schemes of stochastic transcription initiation are known to affect gene expression noise, how post...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2018.02.010

    authors: Kim S,Jacobs-Wagner C

    更新日期:2018-04-10 00:00:00

  • Ca channel gating during cardiac action potentials.

    abstract::How do Ca channels conduct Ca ions during the cardiac action potential? We attempt to answer this question by applying a two-microelectrode technique, previously used for Na and K currents, in which we record the patch current and the action potential at the same time (Mazzanti, M., and L. J. DeFelice. 1987. Biophys. ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(90)82448-6

    authors: Mazzanti M,DeFelice LJ

    更新日期:1990-10-01 00:00:00

  • Revealing Compartmentalized Diffusion in Living Cells with Interferometric Scattering Microscopy.

    abstract::The spatiotemporal organization and dynamics of the plasma membrane and its constituents are central to cellular function. Fluorescence-based single-particle tracking has emerged as a powerful approach for studying the single molecule behavior of plasma-membrane-associated events because of its excellent background su...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2018.05.007

    authors: de Wit G,Albrecht D,Ewers H,Kukura P

    更新日期:2018-06-19 00:00:00

  • The location of photopigment molecules in the cross-section of frog retinal receptor disk membranes.

    abstract::The location of the photopigment molecules relative to the lipid hydrocarbon core of retinal receptor disk membranes was unknown. The photopigment molecules could occur entirely on the surface of the membrane, completely embedded in its hydrocarbon core, or at some intermediate location protruding into both the aqueou...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(72)86079-X

    authors: Blasie JK

    更新日期:1972-02-01 00:00:00

  • Real-time control of neutrophil metabolism by very weak ultra-low frequency pulsed magnetic fields.

    abstract::In adherent and motile neutrophils NAD(P)H concentration, flavoprotein redox potential, and production of reactive oxygen species and nitric oxide, are all periodic and exhibit defined phase relationships to an underlying metabolic oscillation of approximately 20 s. Utilizing fluorescence microscopy, we have shown in ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.104.056663

    authors: Rosenspire AJ,Kindzelskii AL,Simon BJ,Petty HR

    更新日期:2005-05-01 00:00:00

  • Thermodynamics and the primary processes of photosynthesis.

    abstract::Numerous discussions of the relationship of the thermodynamics of radiation to photosynthesis have been published, but the results are often in disagreement or at best difficult to compare with one another. The recent treatment of maximal photosynthetic efficiencies by Ross and Calvin is here shown to be directly rela...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(69)86457-X

    authors: Knox RS

    更新日期:1969-11-01 00:00:00

  • Switch II mutants reveal coupling between the nucleotide- and actin-binding regions in myosin V.

    abstract::Conserved active-site elements in myosins and other P-loop NTPases play critical roles in nucleotide binding and hydrolysis; however, the mechanisms of allosteric communication among these mechanoenzymes remain unresolved. In this work we introduced the E442A mutation, which abrogates a salt-bridge between switch I an...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2012.04.025

    authors: Trivedi DV,David C,Jacobs DJ,Yengo CM

    更新日期:2012-06-06 00:00:00

  • Excitation transport and trapping on spectrally disordered lattices.

    abstract::It is widely assumed that the decay of fluorescence in photosynthetic systems can be described as a sum of exponential components and that the amplitude of each component is directly related to the absorption cross-section of the antenna pigments coupled to the fluorescing species. We present exact calculations of exc...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(89)82767-5

    authors: Jean JM,Chan CK,Fleming GR,Owens TG

    更新日期:1989-12-01 00:00:00

  • Exploring the ion selectivity properties of a large number of simplified binding site models.

    abstract::The ability to discriminate between different cations efficiently is essential for the proper physiological functioning of many membrane transport proteins. One obvious mechanism of ion selectivity is when a binding site is structurally constrained by the protein architecture and its geometry is precisely adapted to f...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2010.03.038

    authors: Roux B

    更新日期:2010-06-16 00:00:00

  • The Affinity of Sterols for Different Phospholipid Classes and Its Impact on Lateral Segregation.

    abstract::Cholesterol is an essential molecule in the membranes of mammalian cells. It is known to be distributed heterogeneously within the cells, between the bilayer leaflets, as well as between lateral domains within the bilayer. However, we do not know exactly how cholesterol is distributed and what forces drive this sortin...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2018.11.3135

    authors: Nyholm TKM,Jaikishan S,Engberg O,Hautala V,Slotte JP

    更新日期:2019-01-22 00:00:00

  • A novel voltage clamp technique for mapping ionic currents from cultured skeletal myotubes.

    abstract::The biophysical properties and cellular distribution of ion channels largely determine the input/output relationships of electrically excitable cells. A variety of patch pipette voltage clamp techniques are available to characterize ionic currents. However, when used by themselves, such techniques are not well suited ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(98)78003-8

    authors: Anson BD,Roberts WM

    更新日期:1998-06-01 00:00:00

  • Evaluation of dynamic features of Escherichia coli 16S ribosomal RNA in homogeneous physiological solution.

    abstract::There is no methodology for the estimation of the dynamic features of large-molecular-weight RNAs in homogeneous physiological media. In this report, a luminescence anisotropy-based method using a long-lifetime luminescent oligonucleotide probe for the estimation of the dynamic features of large-molecular-weight RNA i...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.105.062455

    authors: Sakamoto T,Mahara A,Yamagata K,Iwase R,Yamaoka T,Murakami A

    更新日期:2005-12-01 00:00:00

  • Membrane on a chip: a functional tethered lipid bilayer membrane on silicon oxide surfaces.

    abstract::Tethered membranes have been proven during recent years to be a powerful and flexible biomimetic platform. We reported in a previous article on the design of a new architecture based on the self-assembly of a thiolipid on ultrasmooth gold substrates, which shows extremely good electrical sealing properties as well as ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.105.061374

    authors: Atanasov V,Knorr N,Duran RS,Ingebrandt S,Offenhäusser A,Knoll W,Köper I

    更新日期:2005-09-01 00:00:00