Folding, misfolding, and amyloid protofibril formation of WW domain FBP28.

Abstract:

:We study the folding mechanism of a triple beta-strand WW domain from the Formin binding protein 28 (FBP28) at atomic resolution with explicit water model using replica exchange molecular dynamics computer simulations. Extended sampling over a wide range of temperatures to obtain the free energy, enthalpy, and entropy surfaces as a function of structural coordinates has been performed. Simulations were started from different configurations covering the folded and unfolded states. In the free energy landscape a transition state is identified and its structures and -values are compared with experimental data from a homologous protein, the prolyl-isomerase Pin1 WW domain. A stable intermediate state is found to accumulate during the simulation characterized by the carboxyl-terminal beta-strand 3 having misregistered hydrogen bonds and where the structural heterogeneity is due to nonnative turn II formation. Furthermore, the aggregation behavior of the FBP28 WW domain may be related to one such misfolded structure, which has a much lower free energy of dimer formation than that of the native dimer. Based on the misfolded dimer, aggregation to form protofibril structure is discussed.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Mu Y,Nordenskiöld L,Tam JP

doi

10.1529/biophysj.105.076406

subject

Has Abstract

pub_date

2006-06-01 00:00:00

pages

3983-92

issue

11

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(06)72580-2

journal_volume

90

pub_type

杂志文章
  • Interactions of hydrophobic peptides with lipid bilayers: Monte Carlo simulations with M2delta.

    abstract::We introduce here a novel Monte Carlo simulation method for studying the interactions of hydrophobic peptides with lipid membranes. Each of the peptide's amino acids is represented as two interaction sites: one corresponding to the backbone alpha-carbon and the other to the side chain, with the membrane represented as...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(03)74765-1

    authors: Kessel A,Shental-Bechor D,Haliloglu T,Ben-Tal N

    更新日期:2003-12-01 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

  • Stochastic Modeling of Autoregulatory Genetic Feedback Loops: A Review and Comparative Study.

    abstract::Autoregulatory feedback loops are one of the most common network motifs. A wide variety of stochastic models have been constructed to understand how the fluctuations in protein numbers in these loops are influenced by the kinetic parameters of the main biochemical steps. These models differ according to 1) which subce...

    journal_title:Biophysical journal

    pub_type: 杂志文章,评审

    doi:10.1016/j.bpj.2020.02.016

    authors: Holehouse J,Cao Z,Grima R

    更新日期:2020-04-07 00:00:00

  • Measuring the Refractive Index of Bovine Corneal Stromal Cells Using Quantitative Phase Imaging.

    abstract::The cornea is the primary refractive lens in the eye and transmits >90% of incident visible light. It has been suggested that the development of postoperative corneal haze could be due to an increase in light scattering from activated corneal stromal cells. Quiescent keratocytes are thought to produce crystallins that...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2015.08.046

    authors: Gardner SJ,White N,Albon J,Knupp C,Kamma-Lorger CS,Meek KM

    更新日期:2015-10-20 00:00:00

  • Are assumptions about the model type necessary in reaction-diffusion modeling? A FRAP application.

    abstract::At present, fluorescence recovery after photobleaching (FRAP) data are interpreted using various types of reaction-diffusion (RD) models: the model type is usually fixed first, and corresponding model parameters are inferred subsequently. In this article, we describe what we believe to be a novel approach for RD model...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2011.01.041

    authors: Mai J,Trump S,Ali R,Schiltz RL,Hager G,Hanke T,Lehmann I,Attinger S

    更新日期:2011-03-02 00:00:00

  • Actin's view of actomyosin interface.

    abstract::Actomyosin interactions were examined by using yeast actin mutants with alanines replacing charged amino acid pairs D24/D25, E99/E100, D80/D81, and E83/K84. In the in vitro motility experiments, actin filaments of D24A/D25A or E99A/E100A mutants moved in the presence of 0.7% methylcellulose at the velocities of wild-t...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:

    authors: Miller CJ,Cheung P,White P,Reisler E

    更新日期:1995-04-01 00:00:00

  • Passive membrane potentials: a generalization of the theory of electrotonus.

    abstract::THE THEORY OF ELECTROTONUS, WHICH HAS BEEN WELL DEVELOPED FOR SMALL CYLINDERS, IS EXTENDED: the fundamental potential equations for a membrane of arbitrary shape are derived, and solutions are found for cylindrical and spherical geometries. If two purely conductive media are separated by a resistance-capacitance membr...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(68)86493-8

    authors: Hellerstein D

    更新日期:1968-03-01 00:00:00

  • Localized dynamic light scattering: a new approach to dynamic measurements in optical microscopy.

    abstract::We present a new approach to probing single-particle dynamics that uses dynamic light scattering from a localized region. By scattering a focused laser beam from a micron-size particle, we measure its spatial fluctuations via the temporal autocorrelation of the scattered intensity. We demonstrate the applicability of ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(98)77866-X

    authors: Meller A,Bar-Ziv R,Tlusty T,Moses E,Stavans J,Safran SA

    更新日期:1998-03-01 00:00:00

  • Confocal FRET microscopy to measure clustering of ligand-receptor complexes in endocytic membranes.

    abstract::The dynamics of protein distribution in endocytic membranes are relevant for many cellular processes, such as protein sorting, organelle and membrane microdomain biogenesis, protein-protein interactions, receptor function, and signal transduction. We have developed an assay based on Fluorescence Resonance Energy Micro...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(03)74500-7

    authors: Wallrabe H,Elangovan M,Burchard A,Periasamy A,Barroso M

    更新日期:2003-07-01 00:00:00

  • Robust reconstruction of the rate constant distribution using the phase function method.

    abstract::Many biological processes exhibit complex kinetic behavior that involves a nontrivial distribution of rate constants. Characterization of the rate constant distribution is often critical for mechanistic understandings of these processes. However, it is difficult to extract a rate constant distribution from data measur...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.106.090688

    authors: Zhou Y,Zhuang X

    更新日期:2006-12-01 00:00:00

  • Structural features of parathyroid hormone receptor coupled to Galpha(s)-protein.

    abstract::The molecular basis of the activation of G-proteins by the G-protein coupled receptor for parathyroid hormone (PTH) is unknown. Employing a combination of NMR methods and computer-based structural refinement, structural features involved in the activation of Galpha(s) by the PTH receptor (PTH1R) have been determined. ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.106.094813

    authors: Plati J,Tsomaia N,Piserchio A,Mierke DF

    更新日期:2007-01-15 00:00:00

  • A new material concept for the red cell membrane.

    abstract::The proposition is made that the red cell membrane is a two-dimensional, incompressible material and a general stress-strain law is developed for finite deformations. In the linear form, the character of such a material is analogous to a two-dimensional Mooney material (e.g., rubber), indicating that the molecular str...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(73)86035-7

    authors: Evans EA

    更新日期:1973-09-01 00:00:00

  • Chromophore/protein and chromophore/anion interactions in halorhodopsin.

    abstract::Halorhodopsin (HR), the light-driven chloride transport pigment of Halobacterium halobium, was bleached and reconstituted with retinal analogues with the pi electron system interrupted at different locations (dihydroretinals). The absorption maxima of the artificial pigments formed with the dihydroretinals are found t...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(88)83080-7

    authors: Lanyi JK,Zimányi L,Nakanishi K,Derguini F,Okabe M,Honig B

    更新日期:1988-02-01 00:00:00

  • Phase transitions in monoglyceride bilayers. A light scattering study.

    abstract::Thermotropic phase transitions in single planar bilayers of glycerol mono-oleate have been investigated using quasi-elastic light scattering from thermally excited membrane fluctuations. In certain cases both spectroscopic and intensity information were derived from the observations. For solvent-free bilayers transiti...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(86)83716-X

    authors: Crawford GE,Earnshaw JC

    更新日期:1986-04-01 00:00:00

  • Sacrificial bonds in polymer brushes from rat tail tendon functioning as nanoscale velcro.

    abstract::Polymers play an important role in many biological systems, so a fundamental understanding of their cross-links is crucial not only for the development of medicines but also for the development of biomimetic materials. The biomechanical movements of all mammals are aided by tendon fibrils. The self-organization and bi...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.104.056747

    authors: Gutsmann T,Hassenkam T,Cutroni JA,Hansma PK

    更新日期:2005-07-01 00:00:00

  • Order parameters of a transmembrane helix in a fluid bilayer: case study of a WALP peptide.

    abstract::A new solid-state NMR-based strategy is established for the precise and efficient analysis of orientation and dynamics of transmembrane peptides in fluid bilayers. For this purpose, several dynamically averaged anisotropic constraints, including (13)C and (15)N chemical shift anisotropies and (13)C-(15)N dipolar coupl...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2010.01.016

    authors: Holt A,Rougier L,Réat V,Jolibois F,Saurel O,Czaplicki J,Killian JA,Milon A

    更新日期:2010-05-19 00:00:00

  • A probability density approach to modeling local control of calcium-induced calcium release in cardiac myocytes.

    abstract::We present a probability density approach to modeling localized Ca2+ influx via L-type Ca2+ channels and Ca2+-induced Ca2+ release mediated by clusters of ryanodine receptors during excitation-contraction coupling in cardiac myocytes. Coupled advection-reaction equations are derived relating the time-dependent probabi...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.106.099861

    authors: Williams GS,Huertas MA,Sobie EA,Jafri MS,Smith GD

    更新日期:2007-04-01 00:00:00

  • Mechanism of DNA compaction by yeast mitochondrial protein Abf2p.

    abstract::We used high-resolution atomic force microscopy to image the compaction of linear and circular DNA by the yeast mitochondrial protein Abf2p, which plays a major role in packaging mitochondrial DNA. Atomic force microscopy images show that protein binding induces drastic bends in the DNA backbone for both linear and ci...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(04)74231-9

    authors: Friddle RW,Klare JE,Martin SS,Corzett M,Balhorn R,Baldwin EP,Baskin RJ,Noy A

    更新日期:2004-03-01 00:00:00

  • Why pancreatic islets burst but single beta cells do not. The heterogeneity hypothesis.

    abstract::Previous mathematical modeling of beta cell electrical activity has involved single cells or, recently, clusters of identical cells. Here we model clusters of heterogeneous cells that differ in size, channel density, and other parameters. We use gap-junctional electrical coupling, with conductances determined by an ex...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(93)81539-X

    authors: Smolen P,Rinzel J,Sherman A

    更新日期:1993-06-01 00:00:00

  • Hybrid global optimization algorithms for protein structure prediction: alternating hybrids.

    abstract::Hybrid global optimization methods attempt to combine the beneficial features of two or more algorithms, and can be powerful methods for solving challenging nonconvex optimization problems. In this paper, novel classes of hybrid global optimization methods, termed alternating hybrids, are introduced for application as...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(03)74905-4

    authors: Klepeis JL,Pieja MJ,Floudas CA

    更新日期:2003-02-01 00:00:00

  • Fibrillar α-synuclein and huntingtin exon 1 assemblies are toxic to the cells.

    abstract::The aggregation of alpha-synuclein (α-syn) and huntingtin (htt) into fibrillar assemblies in nerve and glial cells is a molecular hallmark of Parkinson's and Huntington's diseases. Within the aggregation process, prefibrillar and fibrillar oligomeric species form. Prefibrillar assemblies rather than fibrils are nowada...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2012.04.050

    authors: Pieri L,Madiona K,Bousset L,Melki R

    更新日期:2012-06-20 00:00:00

  • Direct observation of poloxamer 188 insertion into lipid monolayers.

    abstract::P188, a triblock copolymer of the form poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) helps seal electroporated cell membranes, arresting the leakage of intracellular materials from the damaged cells. To explore the nature of the interaction between P188 and cell membranes, we have constructed a model...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(02)75499-4

    authors: Maskarinec SA,Hannig J,Lee RC,Lee KY

    更新日期:2002-03-01 00:00:00

  • A systematic comparison of mathematical models for inherent measurement of ciliary length: how a cell can measure length and volume.

    abstract::Cells control organelle size with great precision and accuracy to maintain optimal physiology, but the mechanisms by which they do so are largely unknown. Cilia and flagella are simple organelles in which a single measurement, length, can represent size. Maintenance of flagellar length requires an active transport pro...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2014.12.051

    authors: Ludington WB,Ishikawa H,Serebrenik YV,Ritter A,Hernandez-Lopez RA,Gunzenhauser J,Kannegaard E,Marshall WF

    更新日期:2015-03-24 00:00:00

  • Cell force microscopy on elastic layers of finite thickness.

    abstract::Forces applied by cells to substrates can be measured using soft substrates with embedded displacement markers. Traction forces are retrieved from microscopic images by determining the displacements of these markers and fitting the generating forces. Here we show that using elastic films of 5-10-microm thickness one c...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.111328

    authors: Merkel R,Kirchgessner N,Cesa CM,Hoffmann B

    更新日期:2007-11-01 00:00:00

  • Cell adhesion strength is controlled by intermolecular spacing of adhesion receptors.

    abstract::Spatial patterning of biochemical cues on the micro- and nanometer scale controls numerous cellular processes such as spreading, adhesion, migration, and proliferation. Using force microscopy we show that the lateral spacing of individual integrin receptor-ligand bonds determines the strength of cell adhesion. For spa...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2009.11.001

    authors: Selhuber-Unkel C,Erdmann T,López-García M,Kessler H,Schwarz US,Spatz JP

    更新日期:2010-02-17 00:00:00

  • Orientation of cross-bridges in skeletal muscle measured with a hydrophobic probe.

    abstract::Cis-parinaric acid (PA) binds to a hydrophobic pocket formed between the heavy chain of myosin subfragment-1 (S1) and the 41-residue N-terminal of essential light chain 1 (A1). The binding is strong (Ka = 5.6 x 10(7) M-1) and rigid (polarization = 0.334). PA does not bind to myofibrils in which A1 has been extracted o...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(97)78871-4

    authors: Xiao M,Borejdo J

    更新日期:1997-05-01 00:00:00

  • Spring constants for channel-induced lipid bilayer deformations. Estimates using gramicidin channels.

    abstract::Hydrophobic interactions between a bilayer and its embedded membrane proteins couple protein conformational changes to changes in the packing of the surrounding lipids. The energetic cost of a protein conformational change therefore includes a contribution from the associated bilayer deformation energy (DeltaGdef0), w...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(99)77252-8

    authors: Lundbaek JA,Andersen OS

    更新日期:1999-02-01 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

  • Imaging cells and tissues with refractive index radiology.

    abstract::Can individual cells, including live cells, be imaged using hard x rays? Common wisdom until now required sophisticated staining techniques for this task. We show instead that individual cells and cell details can be detected in culture solution and tissues with no staining and no other contrast-enhancing preparation....

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.103.034991

    authors: Hwu Y,Tsai WL,Chang HM,Yeh HI,Hsu PC,Yang YC,Su YT,Tsai HL,Chow GM,Ho PC,Li SC,Moser HO,Yang P,Seol SK,Kim CC,Je JH,Stefanekova E,Groso A,Margaritondo G

    更新日期:2004-12-01 00:00:00

  • 5-A Fourier map of gramicidin A phased by deuterium-hydrogen solvent difference neutron diffraction.

    abstract::Crystals of ion-free gramicidin A (P212121: a = 24.61, b = 32.28, c = 32.52) have been investigated using neutron diffraction. A difference analysis of crystals soaked in ethanol/H2O as opposed to ethanol-d6/D2O has led to single isomorphous replacement Fourier projections of the structure at 5-A resolution. The grami...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(84)84186-7

    authors: Koeppe RE 2nd,Schoenborn BP

    更新日期:1984-03-01 00:00:00