The position of QB in the photosynthetic reaction center depends on pH: a theoretical analysis of the proton uptake upon QB reduction.

Abstract:

:Electrostatics-based calculations have been performed to examine the proton uptake upon reduction of the terminal electron acceptor Q(B) in the photosynthetic reaction center of Rhodobacter sphaeroides as a function of pH and the associated conformational equilibrium. Two crystal structures of the reaction center were considered: one structure was determined in the dark and the other under illumination. In the two structures, the Q(B) was found in two different positions, proximal or distal to the nonheme iron. Because Q(B) was found mainly in the distal position in the dark and only in the proximal position under illumination, the two positions have been attributed mostly to the oxidized and the reduced forms of Q(B), respectively. We calculated the proton uptake upon Q(B) reduction by four different models. In the first model, Q(B) is allowed to equilibrate between the two positions with either oxidation state. This equilibrium was allowed to vary with pH. In the other three models the distribution of Q(B) between the proximal position and the distal position was pH-independent, with Q(B) occupying only the distal position or only the proximal position or populating the two positions with a fixed ratio. Only the first model, which includes the pH-dependent conformational equilibrium, reproduces both the experimentally measured pH dependence of the proton uptake and the crystallographically observed conformational equilibrium at pH 8. From this model, we find that Q(B) occupies only the distal position below pH 6.5 and only the proximal position above pH 9.0 in both oxidation states. Between these pH values both positions are partially occupied. The reduced Q(B) has a higher occupancy in the proximal position than the oxidized Q(B). In summary, the present results indicate that the conformational equilibrium of Q(B) depends not only on the redox state of Q(B), but also on the pH value of the solution.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Taly A,Sebban P,Smith JC,Ullmann GM

doi

10.1016/S0006-3495(03)75016-4

subject

Has Abstract

pub_date

2003-03-01 00:00:00

pages

2090-8

issue

3

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(03)75016-4

journal_volume

84

pub_type

杂志文章
  • Cross-bridge versus thin filament contributions to the level and rate of force development in cardiac muscle.

    abstract::In striated muscle thin filament activation is initiated by Ca(2+) binding to troponin C and augmented by strong myosin binding to actin (cross-bridge formation). Several lines of evidence have led us to hypothesize that thin filament properties may limit the level and rate of force development in cardiac muscle at al...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.103.039123

    authors: Regnier M,Martin H,Barsotti RJ,Rivera AJ,Martyn DA,Clemmens E

    更新日期:2004-09-01 00:00:00

  • Viscoelasticity as a biomarker for high-throughput flow cytometry.

    abstract::The mechanical properties of living cells are a label-free biophysical marker of cell viability and health; however, their use has been greatly limited by low measurement throughput. Although examining individual cells at high rates is now commonplace with fluorescence activated cell sorters, development of comparable...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2013.10.003

    authors: Sawetzki T,Eggleton CD,Desai SA,Marr DW

    更新日期:2013-11-19 00:00:00

  • Diacylglycerol and hexadecane increase divalent cation-induced lipid mixing rates between phosphatidylserine large unilamellar vesicles.

    abstract::Bovine brain phosphatidylserine (BBPS) vesicles were prepared with traces of dioleoylglycerol (18:1, 18:1 DAG) or hexadecane (HD) to determine the influence of changes in headgroup or acyl chain packing on divalent cation-induced lipid mixing rates. A stopped-flow apparatus was used to combine vesicles with 3 mM Ca2+ ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/s0006-3495(94)80786-6

    authors: Walter A,Yeagle PL,Siegel DP

    更新日期:1994-02-01 00:00:00

  • Influence of counter-ions on the crystal structures of DNA decamers: binding of [Co(NH3)6]3+ and Ba2+ to A-DNA.

    abstract::A-DNA is a stable alternative right-handed double helix that is favored by certain sequences (e.g., (dG)n.(dC)n) or under low humidity conditions. Earlier A-DNA structures of several DNA oligonucleotides and RNA.DNA chimeras have revealed some conformational variation that may be the result of sequence-dependent effec...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(95)79929-5

    authors: Gao YG,Robinson H,van Boom JH,Wang AH

    更新日期:1995-08-01 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

  • Mechanosensitive closed-closed transitions in large membrane proteins: osmoprotection and tension damping.

    abstract::Multiconformation membrane proteins are mechanosensitive (MS) if their conformations displace different bilayer areas. Might MS closed-closed transitions serve as tension buffers, that is, as membrane "spandex"? While bilayer expansion is effectively instantaneous, transitions of bilayer-embedded MS proteins are stoch...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2009.08.054

    authors: Boucher PA,Morris CE,Joós B

    更新日期:2009-11-18 00:00:00

  • Computer Simulation of Radial Immunodiffusion: II. Selection of an Algorithm for the Antibody-Antigen Reaction in Gels.

    abstract::An algorithm needed for computer simulation of immunodiffusion has been deduced from existing theories of the in vitro reaction between antibody and antigen. The "Goldberg most probable polymer distribution" theory provides a formula that gives the amount of free antibody, free antigen, and diffusible complexes from e...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(73)85996-X

    authors: Trautman R

    更新日期:1973-05-01 00:00:00

  • The role of F-actin and myosin in epithelial cell rheology.

    abstract::Although actin and myosin are important contributors to cell-force generation, shape change, and motility, their contributions to cell stiffness and frequency-dependent rheology have not been conclusively determined. We apply several pharmacological interventions to cultured epithelial cells to elucidate the roles of ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.106.091264

    authors: Van Citters KM,Hoffman BD,Massiera G,Crocker JC

    更新日期:2006-11-15 00:00:00

  • Ligand binding and protein dynamics in lactate dehydrogenase.

    abstract::Recent experimental studies suggest that lactate dehydrogenase (LDH) binds its substrate via the formation of a LDH/NADH.substrate encounter complex through a select-fit mechanism, whereby only a minority population of LDH/NADH is binding-competent. In this study, we perform molecular dynamics calculations to explore ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.106146

    authors: Pineda JR,Callender R,Schwartz SD

    更新日期:2007-09-01 00:00:00

  • Discrimination of DNA hybridization using chemical force microscopy.

    abstract::Atomic force microscopy (AFM) can be used to probe the mechanics of molecular recognition between surfaces. In the application known as "chemical force" microscopy (CFM), a chemically modified AFM tip probes a surface through chemical recognition. When modified with a biological ligand or receptor, the AFM tip can dis...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(99)77447-3

    authors: Mazzola LT,Frank CW,Fodor SP,Mosher C,Lartius R,Henderson E

    更新日期:1999-06-01 00:00:00

  • A method for determining transmembrane helix association and orientation in detergent micelles using small angle x-ray scattering.

    abstract::Solution small angle x-ray scattering can be used to study the association of transmembrane proteins solubilized in detergent micelles. We have used the alpha-helical transmembrane domain of the human erythrocyte glycophorin A (GpA) fused to the carboxyl terminus of monomeric staphylococcal nuclease (SN/GpA) as a mode...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(99)76956-0

    authors: Bu Z,Engelman DM

    更新日期:1999-08-01 00:00:00

  • New model of charged molecule redistribution induced in spherical vesicles by direct current electric field.

    abstract::A new electrophoresis model of charged components in a spherical phospholipid vesicle is proposed. In the new model the effective local tangential electric field is a result of the uniform external electric field modified by the electric field of redistributed charges. The modification is calculated on the basis of th...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/s0006-3495(97)78699-5

    authors: Piasecki W,Salwiński L,Froncisz W

    更新日期:1997-02-01 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

  • Viscoelastic dynamics of actin filaments coupled to rotary F-ATPase: curvature as an indicator of the torque.

    abstract::ATP synthase (F-ATPase) operates as an electrochemical-to-mechanical-to-chemical energy transducer with an astounding 360 degrees rotary motion of subunits epsilongammac(10-14) (rotor) against delta(alphabeta)(3)ab(2) (stator). The enzyme's torque as a function of the angular reaction coordinate in relation to ATP-syn...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(01)75781-5

    authors: Cherepanov DA,Junge W

    更新日期:2001-09-01 00:00:00

  • Platinum-Based Drugs and DNA Interactions Studied by Single-Molecule and Bulk Measurements.

    abstract::Platinum-containing molecules are widely used as anticancer drugs. These molecules exert cytotoxic effects by binding to DNA through various mechanisms. The binding between DNA and platinum-based drugs hinders the opening of DNA, and therefore, DNA duplication and transcription are severely hampered. Overall, impeding...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2016.02.030

    authors: Salerno D,Beretta GL,Zanchetta G,Brioschi S,Cristofalo M,Missana N,Nardo L,Cassina V,Tempestini A,Giovannoni R,Cerrito MG,Zaffaroni N,Bellini T,Mantegazza F

    更新日期:2016-05-24 00:00:00

  • The Role of Lipid Interactions in Simulations of the α-Hemolysin Ion-Channel-Forming Toxin.

    abstract::Molecular dynamics simulations were performed to describe the function of the ion-channel-forming toxin α-hemolysin (αHL) in lipid membranes that were composed of either 1,2-diphytanoyl-sn-glycero-3-phospho-choline or 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-choline. The simulations highlight the importance of lipid ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2018.09.009

    authors: Guros NB,Balijepalli A,Klauda JB

    更新日期:2018-11-06 00:00:00

  • A cell-based model exhibiting branching and anastomosis during tumor-induced angiogenesis.

    abstract::This work describes the first cell-based model of tumor-induced angiogenesis. At the extracellular level, the model describes diffusion, uptake, and decay of tumor-secreted pro-angiogenic factor. At the cellular level, the model uses the cellular Potts model based on system-energy reduction to describe endothelial cel...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.106.101501

    authors: Bauer AL,Jackson TL,Jiang Y

    更新日期:2007-05-01 00:00:00

  • Monte carlo simulations of enzyme reactions in two dimensions: fractal kinetics and spatial segregation.

    abstract::Conventional equations for enzyme kinetics are based on mass-action laws, that may fail in low-dimensional and disordered media such as biological membranes. We present Monte Carlo simulations of an isolated Michaelis-Menten enzyme reaction on two-dimensional lattices with varying obstacle densities, as models of biol...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(02)73953-2

    authors: Berry H

    更新日期:2002-10-01 00:00:00

  • Time-resolved resonance Raman characterization of the bL550 intermediate and the two dark-adapted bRDA/560 forms of bacteriorhodopsin.

    abstract::The resonance Raman spectrum of the second intermediate in the bacteriorhodopsin cycle, bL550, is obtained by a simple flow technique. The Schiff base linkage in this intermediate appears to be protonated, contrary to previous suggestion. The fingerprint region of the spectrum of bL550 does not closely match those of ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(79)85269-8

    authors: Terner J,Hsieh CL,El-Sayed MA

    更新日期:1979-06-01 00:00:00

  • Is the surface area of the red cell membrane skeleton locally conserved?

    abstract::The incompressibility of the lipid bilayer keeps the total surface area of the red cell membrane constant. Local conservation of membrane surface area requires that each surface element of the membrane skeleton keeps its area when its aspect ratio is changed. A change in area would require a flow of lipids past the in...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(92)81837-4

    authors: Fischer TM

    更新日期:1992-02-01 00:00:00

  • CFTR: a cysteine at position 338 in TM6 senses a positive electrostatic potential in the pore.

    abstract::We investigated the accessibility to protons and thiol-directed reagents of a cysteine substituted at position 338 in transmembrane segment 6 (TM6) of CFTR to test the hypothesis that T338 resides in the pore. Xenopus oocytes expressing T338C CFTR exhibited pH-dependent changes in gCl and I-V shape that were specific ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.104.050534

    authors: Liu X,Zhang ZR,Fuller MD,Billingsley J,McCarty NA,Dawson DC

    更新日期:2004-12-01 00:00:00

  • Experimental measurement of the stiffness of the cupula.

    abstract::An experimental procedure is described which consists of cutting the canal duct, inserting a micropipette and administering known volumetric displacements to the cupula. The cupula is made visible by dying the endolymph. Known displacements are administered to the cupula, and the time constant of the return to its equ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(76)85720-7

    authors: Grant JW,Van Buskirk WC

    更新日期:1976-06-01 00:00:00

  • Roles of boundary conditions in DNA simulations: analysis of ion distributions with the finite-difference Poisson-Boltzmann method.

    abstract::The wide use of lattice-sum strategies in biomolecular simulations has raised many questions on potential artifacts in these strategies. One interesting question is the artifacts in the counterion distributions of highly charged systems. As one would anticipate, Coulombic interactions under the periodic boundary condi...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2009.05.012

    authors: Ye X,Cai Q,Yang W,Luo R

    更新日期:2009-07-22 00:00:00

  • Confinement as a determinant of macromolecular structure and reactivity. II. Effects of weakly attractive interactions between confined macrosolutes and confining structures.

    abstract::The effect of weak, nonspecific interaction between molecules confined within restricted elements of volume ("pores") and the boundary surfaces of the pore, upon the reactivity and physical state of the confined molecules, is explored by means of simple models. A confined molecule is represented by a rectangular paral...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(95)80304-8

    authors: Minton AP

    更新日期:1995-04-01 00:00:00

  • Free energy cost of stretching mRNA hairpin loops inhibits small RNA binding.

    abstract::Small RNA-mRNA binding is an essential step in RNA interference, an important cellular regulatory process. Calculations of binding free energy have been used in binding site prediction, but the cost of stretching the mRNA loop when the small RNA-mRNA duplex forms requires further exploration. Here, using both polymer ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2012.12.017

    authors: Meng Y,Aalberts DP

    更新日期:2013-01-22 00:00:00

  • Unfolding the A2 domain of von Willebrand factor with the optical trap.

    abstract::Von Willebrand factor (VWF) is a multimeric plasma glycoprotein involved in both hemostasis and thrombosis. VWF conformational changes, especially unfolding of the A2 domain, may be required for efficient enzymatic cleavage in vivo. It has been shown that a single A2 domain unfolds at most probable unfolding forces of...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/j.bpj.2009.12.4324

    authors: Ying J,Ling Y,Westfield LA,Sadler JE,Shao JY

    更新日期:2010-04-21 00:00:00

  • Models of beta-amyloid ion channels in the membrane suggest that channel formation in the bilayer is a dynamic process.

    abstract::Here we model the Alzheimer beta-peptide ion channel with the goal of obtaining insight into the mechanism of amyloid toxicity. The models are built based on NMR data of the oligomers, with the universal U-shaped (strand-turn-strand) motif. After 30-ns simulations in the bilayer, the channel dimensions, shapes and sub...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1529/biophysj.107.110148

    authors: Jang H,Zheng J,Nussinov R

    更新日期:2007-09-15 00:00:00

  • Mechanistic Insights into the Modulation of Voltage-Gated Ion Channels by Inhalational Anesthetics.

    abstract::General anesthesia is a relatively safe medical procedure, which for nearly 170 years has allowed life saving surgical interventions in animals and people. However, the molecular mechanism of general anesthesia continues to be a matter of importance and debate. A favored hypothesis proposes that general anesthesia res...

    journal_title:Biophysical journal

    pub_type: 杂志文章,评审

    doi:10.1016/j.bpj.2015.09.032

    authors: Covarrubias M,Barber AF,Carnevale V,Treptow W,Eckenhoff RG

    更新日期:2015-11-17 00:00:00

  • HIV-1 capsid protein forms spherical (immature-like) and tubular (mature-like) particles in vitro: structure switching by pH-induced conformational changes.

    abstract::The viral genome and replicative enzymes of the human immunodeficiency virus are encased in a shell consisting of assembled mature capsid protein (CA). The core shell is a stable, effective protective barrier, but is also poised for dissolution on cue to allow transmission of the viral genome into its new host. In thi...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(01)75725-6

    authors: Ehrlich LS,Liu T,Scarlata S,Chu B,Carter CA

    更新日期:2001-07-01 00:00:00

  • Solution x-ray scattering-based estimation of electron cryomicroscopy imaging parameters for reconstruction of virus particles.

    abstract::Structure factor amplitudes and phases can be computed directly from electron cryomicroscopy images. Inherent aberrations of the electromagnetic lenses and other instrumental factors affect the structure factors, however, resulting in decreased accuracy in the determined three-dimensional reconstruction. In contrast, ...

    journal_title:Biophysical journal

    pub_type: 杂志文章

    doi:10.1016/S0006-3495(99)77381-9

    authors: Thuman-Commike PA,Tsuruta H,Greene B,Prevelige PE Jr,King J,Chiu W

    更新日期:1999-04-01 00:00:00