Hydration structure of antithrombin conformers and water transfer during reactive loop insertion.

Abstract:

:The serine protease inhibitor antithrombin undergoes extensive conformational changes during functional interaction with its target proteases. Changes include insertion of the reactive loop region into a beta-sheet structure in the protein core. We explore the possibility that these changes are linked to water transfer. Volumes of water transferred during inhibition of coagulation factor Xa are compared to water-permeable volumes in the x-ray structure of two different antithrombin conformers. In one conformer, the reactive loop is largely exposed to solvent, and in the other, the loop is inserted. Hydration fingerprints of antithrombin (that is, water-permeable pockets) are analyzed to determine their location, volume, and size of access pores, using alpha shape-based methods from computational geometry. Water transfer during reactions is calculated from changes in rate with osmotic pressure. Hydration fingerprints prove markedly different in the two conformers. There is an excess of 61-76 water molecules in loop-exposed as compared to loop-inserted conformers. Quantitatively, rate increases with osmotic pressure are consistent with the transfer of 73 +/- 7 water molecules. This study demonstrates that conformational changes of antithrombin, including loop insertion, are linked to water transfer from antithrombin to bulk solution. It also illustrates the combined use of osmotic stress and analytical geometry as a new and effective tool for structure/function studies.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Liang J,McGee MP

doi

10.1016/S0006-3495(98)77548-4

subject

Has Abstract

pub_date

1998-08-01 00:00:00

pages

573-82

issue

2

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(98)77548-4

journal_volume

75

pub_type

杂志文章
  • Analysis of coupled bimolecular reaction kinetics and diffusion by two-color fluorescence correlation spectroscopy: enhanced resolution of kinetics by resonance energy transfer.

    abstract::In two-color fluorescence correlation spectroscopy (TCFCS), the fluorescence intensities of two fluorescently-labeled species are cross-correlated over time and can be used to identify static and dynamic interactions. Generally, fluorophore labels are chosen that do not undergo Förster resonance energy transfer (FRET)...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(02)75189-8

    authors: Hom EF,Verkman AS

    更新日期:2002-07-01 00:00:00

  • Quantifying the importance of protein conformation on ligand migration in myoglobin.

    abstract::Myoglobin (Mb) is a model system for ligand binding and migration. The energy barriers (ΔG) for ligand migration in Mb have been studied in the past by experiment and theory and significant differences between different approaches were found. From experiment, it is known that Mb can assume a large number of conformati...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2011.10.058

    authors: Plattner N,Meuwly M

    更新日期:2012-01-18 00:00:00

  • Oxygen concentration inside a functioning photosynthetic cell.

    abstract::The excess oxygen concentration in the photosynthetic membranes of functioning oxygenic photosynthetic cells was estimated using classical diffusion theory combined with experimental data on oxygen production rates of cyanobacterial cells. The excess oxygen concentration within the plesiomorphic cyanobacterium Gloeoba...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2014.03.031

    authors: Kihara S,Hartzler DA,Savikhin S

    更新日期:2014-05-06 00:00:00

  • Anaphase chromatid motion: involvement of type II DNA topoisomerases.

    abstract::Sister chromatids are topologically intertwined at the onset of anaphase: their segregation during anaphase is known to require strand-passing activity by type II DNA topoisomerase. We propose that the removal of the intertwinings involves at the same time the traction of the mitotic spindle and the activity of topois...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(95)80032-9

    authors: Duplantier B,Jannink G,Sikorav JL

    更新日期:1995-10-01 00:00:00

  • Closed-time distribution of ionic channels. Analytical solution to a one-dimensional defect-diffusion model.

    abstract::A one-dimensional version of the model recently proposed by Läuger (1988) to explain the closed-time distribution of ionic channels in cell membranes is solved analytically. While the probability density f(t) for closed-time lengths may show a well-defined exponential behavior at short times, a power-law decay is pred...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(89)82890-5

    authors: Condat CA,Jäckle J

    更新日期:1989-05-01 00:00:00

  • An x-ray diffraction study on early structural changes in skeletal muscle contraction.

    abstract::Structural changes in frog skeletal muscle were studied using x-ray diffraction with a time resolution of 0.53-1.02 ms after a single electrical stimulus at 8 degrees C. Tension began to drop at 6 ms (latency relaxation), reached a minimum at 8 ms, and then twitch tension developed. The intensity of the meridional ref...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(03)74925-X

    authors: Yagi N

    更新日期:2003-02-01 00:00:00

  • Passive electrical properties of microorganisms. V. Low-frequency dielectric dispersion of bacteria.

    abstract::Very high dielectric constants have been observed for bacteria at low frequencies. High dielectric constants such as these can be explained by a theory which has been developed for the low-frequency dielectric dispersion of porous charged particles and which has been tested successfully through measurements with ion e...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(73)85966-1

    authors: Einolf CW Jr,Carstensen EL

    更新日期:1973-01-01 00:00:00

  • Chemotactic responses of Escherichia coli to small jumps of photoreleased L-aspartate.

    abstract::Computer-assisted motion analysis coupled to flash photolysis of caged chemoeffectors provides a means for time-resolved analysis of bacterial chemotaxis. Escherichia coli taxis toward the amino acid attractant L-aspartate is mediated by the Tar receptor. The physiology of this response, as well as Tar structure and b...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(99)77329-7

    authors: Jasuja R,Keyoung J,Reid GP,Trentham DR,Khan S

    更新日期:1999-03-01 00:00:00

  • Phosphorus-31 nuclear magnetic resonance spectroscopy of toad retina.

    abstract::Phosphorus-31 nuclear magnetic resonance (31P-NMR) spectra were obtained from living toad retinae and toad retinal extracts at 4 degrees C. Several phosphorus metabolites--nucleoside di- and triphosphates (NTP), phosphocreatine, phosphodiesters, inorganic phosphate, and phosphomonoesters--were identified from the spec...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(89)82691-8

    authors: Apte DV,Koutalos Y,McFarlane DK,Dawson MJ,Ebrey TG

    更新日期:1989-09-01 00:00:00

  • Modeling of Transmembrane Potential in Realistic Multicellular Structures before Electroporation.

    abstract::Many approaches for studying the transmembrane potential (TMP) induced during the treatment of biological cells with pulsed electric fields have been reported. From the simple analytical models to more complex numerical models requiring significant computational resources, a gamut of methods have been used to recapitu...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2016.10.005

    authors: Murovec T,Sweeney DC,Latouche E,Davalos RV,Brosseau C

    更新日期:2016-11-15 00:00:00

  • Simultaneous measurements of mitochondrial NADH and Ca(2+) during increased work in intact rat heart trabeculae.

    abstract::The main goal of this study is to investigate the role of mitochondrial [Ca(2+)], [Ca(2+)](m), in the possible up-regulation of the NADH production rate during increased workload. Such up-regulation is necessary to support increased flux through the electron transport chain and increased ATP synthesis rates. Intact ca...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(02)75194-1

    authors: Brandes R,Bers DM

    更新日期:2002-08-01 00:00:00

  • The effect of ionic strength, temperature, and pressure on the interaction potential of dense protein solutions: from nonlinear pressure response to protein crystallization.

    abstract::Understanding the intermolecular interaction potential, V(r), of proteins under the influence of temperature, pressure, and salt concentration is essential for understanding protein aggregation, crystallization, and protein phase behavior in general. Here, we report small-angle x-ray scattering studies on dense lysozy...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2012.04.043

    authors: Möller J,Schroer MA,Erlkamp M,Grobelny S,Paulus M,Tiemeyer S,Wirkert FJ,Tolan M,Winter R

    更新日期:2012-06-06 00:00:00

  • The effect of branching on the critical concentration and average filament length of actin.

    abstract::The dependences of the steady-state critical concentration and average filament length of actin solutions, on the filament branching and capping rates, are calculated using a rate methodology based on the total number of actin filaments. The methodology generalizes calculations of the "treadmilling" actin concentratio...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.105.061598

    authors: Carlsson AE

    更新日期:2005-07-01 00:00:00

  • Effect of viscoelasticity on the analysis of single-molecule force spectroscopy on live cells.

    abstract::Single-molecule force spectroscopy is used to probe the kinetics of receptor-ligand bonds by applying mechanical forces to an intermediate media on which the molecules reside. When this intermediate media is a live cell, the viscoelastic properties can affect the calculation of rate constants. We theoretically investi...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2012.05.044

    authors: Gupta VK,Neeves KB,Eggleton CD

    更新日期:2012-07-03 00:00:00

  • Mechanism of pH-triggered collapse of phosphatidylethanolamine liposomes stabilized by an ortho ester polyethyleneglycol lipid.

    abstract::The mechanism of pH-triggered destabilization of liposomes composed of a polyethyleneglycol-orthoester-distearoylglycerol lipid (POD) and phosphatidyl ethanolamine (PE) has been studied using an ANTS/DPX leakage and a lipid-mixing assay. We developed a kinetic model that relates POD hydrolysis to liposome collapse. Th...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/s0006-3495(03)74986-8

    authors: Guo X,MacKay JA,Szoka FC Jr

    更新日期:2003-03-01 00:00:00

  • Reversal of the surface charge asymmetry in purple membrane due to single amino acid substitutions.

    abstract::Twenty-seven mutant bacteriorhodopsin's were screened to determine the PKa for reversal of the permanent electric dipole moment. The photoelectric response of an aqueous purple-membrane suspension was used to determine the direction of the purple-membrane dipole moment as a function of pH. The pK(a) for the dipole rev...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(96)79802-8

    authors: Hsu KC,Rayfield GW,Needleman R

    更新日期:1996-05-01 00:00:00

  • Statistical methods for model discrimination. Applications to gating kinetics and permeation of the acetylcholine receptor channel.

    abstract::Methods are described for discrimination of models of the gating kinetics and permeation of single ionic channels. Both maximum likelihood and regression procedures are discussed. In simple situations, where models are nested, standard hypothesis tests can be used. More commonly, however, non-nested models are of inte...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(87)83331-3

    authors: Horn R

    更新日期:1987-02-01 00:00:00

  • The hill coefficient for the Ca2+-activation of striated muscle contraction.

    abstract::The following arguments are presented for the observation that curves relating free Ca2+ and force development of thin filament regulated myofilaments of skinned muscle fibers have Hill coefficient (n) greater than 4, which is the number of Ca2+ binding sites on troponin: Activation of the myofilaments is a process re...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(84)84051-5

    authors: Shiner JS,Solaro RJ

    更新日期:1984-10-01 00:00:00

  • Effect of cholesterol on structural and dynamic properties of tripalmitoyl glyceride. A high-pressure infrared spectroscopic study.

    abstract::The infrared spectra of tripalmitoyl glyceride confirm the tuning fork configuration previously attributed to trilauroyl glyceride (Small, D. M. 1986. Handbook of Lipid Research. Vol. 4). The acyl chains in solid tripalmitoyl glycerol, either within each molecule or between neighboring molecules, are oriented parallel...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(89)82730-4

    authors: Wong PT,Chagwedera TE,Mantsch HH

    更新日期:1989-11-01 00:00:00

  • Subdiffraction-limit two-photon fluorescence microscopy for GFP-tagged cell imaging.

    abstract::We report applications of two-photon excitation fluorescence (2PEF) microscopy with subdiffraction-limit resolution for green-fluorescent-protein-tagged cell imaging. The microscope integrates 2PEF microscopy and stimulated emission depletion microscopy in one microscope that has the benefits of both techniques: intri...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2009.09.038

    authors: Li Q,Wu SS,Chou KC

    更新日期:2009-12-16 00:00:00

  • Detection of fluorescently labeled actin-bound cross-bridges in actively contracting myofibrils.

    abstract::Myosin subfragment 1 (S1) can be specifically modified at Lys-553 with the fluorescent probe FHS (6-[fluorescein-5(and 6)-carboxamido]hexanoic acid succinimidyl ester) (Bertrand, R., J. Derancourt, and R. Kassab. 1995. Biochemistry. 34:9500-9507), and solvent quenching of FHS-S1 with iodide has been shown to be sensit...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(00)76698-7

    authors: Cooper WC,Chrin LR,Berger CL

    更新日期:2000-03-01 00:00:00

  • Monomer diffusion into polymer domains in sickle hemoglobin.

    abstract::The gelation of sickle hemoglobin includes the formation of spherulitic arrays of polymers, known as polymer domains, which are an intrinsic result of the polymer formation mechanism. We have observed the diffusion of monomers into domains as they form, which substantially increases the total concentration of hemoglob...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(90)82449-8

    authors: Cho MR,Ferrone FA

    更新日期:1990-10-01 00:00:00

  • Juxtacrine signaling is inherently noisy.

    abstract::Juxtacrine signaling is an important class of signaling systems that plays a crucial role in various developmental processes ranging from coordination of differentiation between neighboring cells to guiding axon growth during neurogenesis. Such signaling systems rely on the interaction between receptors on one cell an...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2014.10.006

    authors: Yaron T,Cordova Y,Sprinzak D

    更新日期:2014-11-18 00:00:00

  • NMR studies in dodecylphosphocholine of a fragment containing the seventh transmembrane helix of a G-protein-coupled receptor from Saccharomyces cerevisiae.

    abstract::The structure and dynamics of a large segment of Ste2p, the G-protein-coupled alpha-factor receptor from yeast, were studied in dodecylphosphocholine (DPC) micelles using solution NMR spectroscopy. We investigated the 73-residue peptide EL3-TM7-CT40 consisting of the third extracellular loop 3 (EL3), the seventh trans...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.106.103770

    authors: Neumoin A,Arshava B,Becker J,Zerbe O,Naider F

    更新日期:2007-07-15 00:00:00

  • Structural studies of a crystalline insulin analog complex with protamine by atomic force microscopy.

    abstract::Crystallographic studies of insulin-protamine complexes, such as neutral protamine Hagedorn (NPH) insulin, have been hampered by high crystal solvent content, small crystal dimensions, and extensive disorder in the protamine molecules. We report herein in situ tapping mode atomic force microscopy (TMAFM) studies of cr...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(00)76609-4

    authors: Yip CM,Brader ML,Frank BH,DeFelippis MR,Ward MD

    更新日期:2000-01-01 00:00:00

  • ADP regulates movements of mitochondria in neurons.

    abstract::Mitochondria often reside in subcellular regions with high metabolic demands. We examined the mechanisms that can govern the relocation of mitochondria to these sites in respiratory neurons. Mitochondria were visualized using tetramethylrhodamineethylester, and their movements were analyzed by applying single-particle...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.106.092981

    authors: Mironov SL

    更新日期:2007-04-15 00:00:00

  • Swelling of a lecithin lamellar phase induced by small carbohydrate solutes.

    abstract::In this paper, we consider the effect of adding small carbohydrate solutes (small sugars) to DMPC (1,2-dimyristoyl-sn-glycero-3-phosphocholine) L(alpha) dispersions and the consequences on the force balance at zero osmotic pressure (maximal swelling). We show the importance of long incubations required to obtain sampl...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(02)75388-5

    authors: Demé B,Dubois M,Zemb T

    更新日期:2002-01-01 00:00:00

  • Salt dependence of nucleic acid hairpin stability.

    abstract::Single-stranded junctions/loops are frequently occurring structural motifs in nucleic acid structures. Due to the polyanionic nature of the nucleic acid backbone, metal ions play a crucial role in the loop stability. Here we use the tightly bound ion theory, which can account for the possible ion correlation and ensem...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.108.131524

    authors: Tan ZJ,Chen SJ

    更新日期:2008-07-01 00:00:00

  • STICCS reveals matrix-dependent adhesion slipping and gripping in migrating cells.

    abstract::Two-color spatio-temporal image cross-correlation spectroscopy (STICCS) is a new, to our knowledge, image analysis method that calculates space-time autocorrelation and cross-correlation functions from fluorescence intensity fluctuations. STICCS generates cellular flow and diffusion maps that reveal interactions and c...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2012.08.060

    authors: Toplak T,Pandzic E,Chen L,Vicente-Manzanares M,Horwitz AR,Wiseman PW

    更新日期:2012-10-17 00:00:00

  • Regulation of the calcium release channel from skeletal muscle by suramin and the disulfonated stilbene derivatives DIDS, DBDS, and DNDS.

    abstract::Activation of skeletal muscle ryanodine receptors (RyRs) by suramin and disulfonic stilbene derivatives (Diisothiocyanostilbene-2',2'-disulfonic acid (DIDS), 4,4'-dibenzamidostilbene-2,2'-disulfonic acid (DBDS),and 4,4'-dinitrostilbene-2,2'-disulfonic acid (DNDS)) was investigated using planar bilayers. One reversible...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(03)74976-5

    authors: O'Neill ER,Sakowska MM,Laver DR

    更新日期:2003-03-01 00:00:00