Bilayer conformation of fusion peptide of influenza virus hemagglutinin: a molecular dynamics simulation study.

Abstract:

:Unraveling the conformation of membrane-bound viral fusion peptides is essential for understanding how those peptides destabilize the bilayer topology of lipids that is important for virus-cell membrane fusion. Here, molecular dynamics (MD) simulations were performed to investigate the conformation of the 20 amino acids long fusion peptide of influenza hemagglutinin of strain X31 bound to a dimyristoyl phosphatidylcholine (DMPC) bilayer. The simulations revealed that the peptide adopts a kinked conformation, in agreement with the NMR structures of a related peptide in detergent micelles. The peptide is located at the amphipathic interface between the headgroups and hydrocarbon chains of the lipid by an energetically favorable arrangement: The hydrophobic side chains of the peptides are embedded into the hydrophobic region and the hydrophilic side chains are in the headgroup region. The N-terminus of the peptide is localized close to the amphipathic interface. The molecular dynamics simulations also revealed that the peptide affects the surrounding bilayer structure. The average hydrophobic thickness of the lipid phase close to the N-terminus is reduced in comparison with the average hydrophobic thickness of a pure dimyristoyl phosphatidylcholine bilayer.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Huang Q,Chen CL,Herrmann A

doi

10.1529/biophysj.103.024562

subject

Has Abstract

pub_date

2004-07-01 00:00:00

pages

14-22

issue

1

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(04)73492-X

journal_volume

87

pub_type

杂志文章
  • Osmotic compression and stiffness changes in relaxed skinned cardiac myocytes in PVP-40 and dextran T-500.

    abstract::Sarcomere lengths, cell widths, indices of stiffness, and striation pattern uniformity were determined from radially compressed isolated adult cardiac myocytes from the rat. Single cells were bathed in a series of relaxing solutions containing 0-15% concentrations of nonpenetrating long chain polymers PVP-40 and dextr...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(90)82467-X

    authors: Roos KP,Brady AJ

    更新日期:1990-11-01 00:00:00

  • A conformational two-state peptide model system containing an ultrafast but soft light switch.

    abstract::Combining an azobenzene chromophore with the bis-cysteinyl active-site sequence of the protein disulfide isomerase (PDI) we constructed a simple but promising model for allosteric conformational rearrangements. Paralleling cellular signaling events, an external trigger, here absorption of a photon, leads to a structur...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.105.067363

    authors: Löweneck M,Milbradt AG,Root C,Satzger H,Zinth W,Moroder L,Renner C

    更新日期:2006-03-15 00:00:00

  • Calculating the bulk modulus for a lipid bilayer with nonequilibrium molecular dynamics simulation.

    abstract::Nonequilibrium molecular dynamics (NEMD) computer simulations are used to calculated the bulk modulus for a dimyristoylphosphatidylcholine bilayer. A methodology is developed whereby NEMD can be effectively used to calculate material properties for complex systems that undergo long time-scale conformational changes. I...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(02)75479-9

    authors: Ayton G,Smondyrev AM,Bardenhagen SG,McMurtry P,Voth GA

    更新日期:2002-03-01 00:00:00

  • Cytoplasmic Flow and Mixing Due to Deformation of Motile Cells.

    abstract::The cytoplasm of a living cell is a dynamic environment through which intracellular components must move and mix. In motile, rapidly deforming cells such as human neutrophils, bulk cytoplasmic flow couples cell deformation to the transport and dispersion of cytoplasmic particles. Using particle-tracking measurements i...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2017.09.009

    authors: Koslover EF,Chan CK,Theriot JA

    更新日期:2017-11-07 00:00:00

  • Electrofusion between heterogeneous-sized mammalian cells in a pellet: potential applications in drug delivery and hybridoma formation.

    abstract::High-efficiency electrofusion between cells of different sizes was achieved by application of fusing electric pulses to cells in centrifuged pellets. Larger target cells (Chinese hamster ovary or L1210 cells) were stacked among smaller human erythrocytes or erythrocyte ghosts by sequential centrifugation at 700 g to f...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(96)79249-4

    authors: Li LH,Hensen ML,Zhao YL,Hui SW

    更新日期:1996-07-01 00:00:00

  • Two-photon fluorescence correlation spectroscopy: method and application to the intracellular environment.

    abstract::We report on the application of two photon molecular excitation to fluorescence correlation spectroscopy. We demonstrate the first fluorescence correlation spectroscopy measurements of translational mobility in the cytoplasm of living cells. Two-photon excitation inherently excites small sample volumes in three dimens...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(95)80230-4

    authors: Berland KM,So PT,Gratton E

    更新日期:1995-02-01 00:00:00

  • Force-velocity relation for growing microtubules.

    abstract::Forces generated by microtubule polymerization and depolymerization are important for the biological functioning of cells. The mean growth velocity, V, under an opposing force, F, has been measured by; Science 278:856-860) for single microtubules growing in vitro, but their analysis of the data suggested that V decrea...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(01)76002-X

    authors: Kolomeisky AB,Fisher ME

    更新日期:2001-01-01 00:00:00

  • Interaction of antiinflammatory drugs with EPC liposomes: calorimetric study in a broad concentration range.

    abstract::Isothermal titration calorimetry was used to characterize and quantify the partition of indomethacin and acemetacin between the bulk aqueous phase and the membrane of egg phosphatidylcholine vesicles. Significant electrostatic effects were observed due to binding of the charged drugs to the membrane, which implied the...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(04)74170-3

    authors: Matos C,Lima JL,Reis S,Lopes A,Bastos M

    更新日期:2004-02-01 00:00:00

  • Energy selection is not correlated in the Qx and Qy bands of a Mg-porphyrin embedded in a protein.

    abstract::The Qx-Qy splitting observed in the fluorescence excitation spectra of Mg-mesoporphyrin-IX substituted horseradish peroxidase (MgMP-HRP) and of its complex with naphthohydroxamic acid (NHA) was studied by spectral hole burning techniques. The width of a hole directly burnt in the Qy band and that of a satellite hole i...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(01)76032-8

    authors: Suisalu A,Mauring K,Kikas J,Herenyi L,Fidy J

    更新日期:2001-01-01 00:00:00

  • Protein Partitioning into Ordered Membrane Domains: Insights from Simulations.

    abstract::Cellular membranes are laterally organized into domains of distinct structures and compositions by the differential interaction affinities between various membrane lipids and proteins. A prominent example of such structures are lipid rafts, which are ordered, tightly packed domains that have been widely implicated in ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2018.03.020

    authors: Lin X,Gorfe AA,Levental I

    更新日期:2018-04-24 00:00:00

  • Fiber interaction in a nerve trunk.

    abstract::This paper is concerned with the nature of the transmembrane potential induced in an inactive nerve fiber lying in an impressed potential field within a nerve trunk. The impressed potential field is assumed to be produced by the synchronous activity of other fibers within the trunk; an expression for the induced trans...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(71)86214-8

    authors: Clark JW Jr,Plonsey R

    更新日期:1971-03-01 00:00:00

  • Effect of noise on DNA sequencing via transverse electronic transport.

    abstract::Previous theoretical studies have shown that measuring the transverse current across DNA strands while they translocate through a nanopore or channel may provide a statistically distinguishable signature of the DNA bases, and may thus allow for rapid DNA sequencing. However, fluctuations of the environment, such as io...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2009.06.055

    authors: Krems M,Zwolak M,Pershin YV,Di Ventra M

    更新日期:2009-10-07 00:00:00

  • Low-frequency stimulation induces stable transitions in stereotypical activity in cortical networks.

    abstract::Reverberating spontaneous synchronized brain activity is believed to play an important role in neural information processing. Whether and how external stimuli can influence this spontaneous activity is poorly understood. Because periodic synchronized network activity is also prominent in in vitro neuronal cultures, we...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.112730

    authors: Vajda I,van Pelt J,Wolters P,Chiappalone M,Martinoia S,van Someren E,van Ooyen A

    更新日期:2008-06-01 00:00:00

  • Imaging nanometer-sized α-synuclein aggregates by superresolution fluorescence localization microscopy.

    abstract::The morphological features of α-synuclein (AS) amyloid aggregation in vitro and in cells were elucidated at the nanoscale by far-field subdiffraction fluorescence localization microscopy. Labeling AS with rhodamine spiroamide probes allowed us to image AS fibrillar structures by fluorescence stochastic nanoscopy with ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2012.03.010

    authors: Roberti MJ,Fölling J,Celej MS,Bossi M,Jovin TM,Jares-Erijman EA

    更新日期:2012-04-04 00:00:00

  • The dependence of the shapes of fluorescence induction curves in chloroplasts on the duration of illumination pulses.

    abstract::The shapes of fluorescence induction curves in spinach chloroplasts, measured using double-flash pump-probe techniques, are shown to depend on the duration of the actinic flashes. For flash durations tau(0)

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(91)82233-0

    authors: Valkunas L,Geacintov NE,France L,Breton J

    更新日期:1991-02-01 00:00:00

  • Cross talk and interference enhance information capacity of a signaling pathway.

    abstract::A recurring motif in gene regulatory networks is transcription factors (TFs) that regulate each other and then bind to overlapping sites on DNA, where they interact and synergistically control transcription of a target gene. Here, we suggest that this motif maximizes information flow in a noisy network. Gene expressio...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2013.01.033

    authors: Hormoz S

    更新日期:2013-03-05 00:00:00

  • Kinetic Mechanism of RNA Helix-Terminal Basepairing-A Kinetic Minima Network Analysis.

    abstract::RNA functions are often kinetically controlled. The folding kinetics of RNAs involves global structural changes and local nucleotide movement, such as base flipping. The most elementary step in RNA folding is the closing and opening of a basepair. By integrating molecular dynamics simulation, master equation, and kine...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2019.09.017

    authors: Wang F,Sun LZ,Cai P,Chen SJ,Xu X

    更新日期:2019-11-05 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

  • Interaction of octyl-beta-thioglucopyranoside with lipid membranes.

    abstract::Octyl-beta-thioglucopyranoside (octyl thioglucoside, OTG) is a nonionic surfactant used for the purification, reconstitution, and crystallization of membrane proteins. The thermodynamic properties of the OTG-membrane partition equilibrium are not known and have been investigated here with high-sensitivity titration ca...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(97)78285-7

    authors: Wenk MR,Seelig J

    更新日期:1997-11-01 00:00:00

  • A modified cable formalism for modeling neuronal membranes at high frequencies.

    abstract::Intracellular recordings of cortical neurons in vivo display intense subthreshold membrane potential (V(m)) activity. The power spectral density of the V(m) displays a power-law structure at high frequencies (>50 Hz) with a slope of approximately -2.5. This type of frequency scaling cannot be accounted for by traditio...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.113571

    authors: Bédard C,Destexhe A

    更新日期:2008-02-15 00:00:00

  • Behavior of supercoiled DNA.

    abstract::We study DNA supercoiling in a quantitative fashion by micromanipulating single linear DNA molecules with a magnetic field gradient. By anchoring one end of the DNA to multiple sites on a magnetic bead and the other end to multiple sites on a glass surface, we were able to exert torsional control on the DNA. A rotatin...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(98)77908-1

    authors: Strick TR,Allemand JF,Bensimon D,Croquette V

    更新日期:1998-04-01 00:00:00

  • Function-related regulation of the stability of MHC proteins.

    abstract::Proteins must be stable to accomplish their biological function and to avoid enzymatic degradation. Constitutive proteolysis, however, is the main source of free amino acids used for de novo protein synthesis. In this paper the delicate balance of protein stability and degradability is discussed in the context of func...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(00)76476-9

    authors: Simon A,Dosztányi Zs,Rajnavölgyi E,Simon I

    更新日期:2000-11-01 00:00:00

  • Lateral motion and bending of microtubules studied with a new single-filament tracking routine in living cells.

    abstract::The cytoskeleton is involved in numerous cellular processes such as migration, division, and contraction and provides the tracks for transport driven by molecular motors. Therefore, it is very important to quantify the mechanical behavior of the cytoskeletal filaments to get a better insight into cell mechanics and or...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2014.04.046

    authors: Pallavicini C,Levi V,Wetzler DE,Angiolini JF,Benseñor L,Despósito MA,Bruno L

    更新日期:2014-06-17 00:00:00

  • Kinetics and thermodynamics of lipid amphiphile exchange between lipoproteins and albumin in serum.

    abstract::We have examined the kinetics and thermodynamics of the exchange of a fluorescent amphiphile derived from a phospholipid, NBD-DMPE, between serum albumin and the serum lipoproteins of high density (HDL2 and HDL3), LDL, and VLDL. Binding of the fluorescent lipid amphiphile to bovine serum albumin is characterized, at 3...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.104.047050

    authors: Estronca LM,Moreno MJ,Laranjinha JA,Almeida LM,Vaz WL

    更新日期:2005-01-01 00:00:00

  • Distribution of ganglioside GM1 in L-alpha-dipalmitoylphosphatidylcholine/cholesterol monolayers: a model for lipid rafts.

    abstract::The distribution of low concentrations of ganglioside GM1 in L-alpha-dipalmitoylphosphatidylcholine (DPPC) and DPPC/cholesterol monolayers supported on mica has been studied using atomic force microscopy (AFM). The monolayers studied correspond to a pure gel phase and a mixture of liquid-expanded (LE) and liquid-conde...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(00)76516-7

    authors: Yuan C,Johnston LJ

    更新日期:2000-11-01 00:00:00

  • Light-induced voltage changes associated with electron and proton transfer in photosystem II core complexes reconstituted in phospholipid monolayers.

    abstract::We have measured light-induced voltage changes (electrogenic events) in photosystem II (PSII) core complexes oriented in phospholipid monolayers. These events are compared to those measured in the functionally and structurally closely related reaction centers from the photosynthetic bacterium Rhodobacter sphaeroides. ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(94)81001-X

    authors: Höök F,Brzezinski P

    更新日期:1994-06-01 00:00:00

  • Constant helical pitch of the gramicidin channel in phospholipid bilayers.

    abstract::X-ray diffraction has been applied in measuring the helical pitch of the gramicidin channel in oriented bilayers of dilauroylphosphatidylcholine (DLPC) and dimyristoylphosphatidylcholine (DMPC) at a polypeptide concentration of 9.1 mol %. The diffraction data show the helical pitch of gramicidin to be 4.7 +/- 0.2 A in...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(92)81888-X

    authors: Katsaras J,Prosser RS,Stinson RH,Davis JH

    更新日期:1992-03-01 00:00:00

  • The osmotic migration of cells in a solute gradient.

    abstract::The effect of a nonuniform solute concentration on the osmotic transport of water through the boundaries of a simple model cell is investigated. A system of two ordinary differential equations is derived for the motion of a single cell in the limit of a fast solute diffusion, and an analytic solution is obtained for o...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(99)76977-8

    authors: Jaeger M,Carin M,Medale M,Tryggvason G

    更新日期:1999-09-01 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

  • Effects of codon distributions and tRNA competition on protein translation.

    abstract::Translation is a central cellular process and the complexity of its mechanism necessitates mathematical frameworks to better understand system properties and make quantitative predictions. We have developed a gene sequence-specific mechanistic model for translation which accounts for all the elementary steps of transl...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.126128

    authors: Zouridis H,Hatzimanikatis V

    更新日期:2008-08-01 00:00:00