The free energy, enthalpy and entropy of native and of partially denatured closed circular DNA.

Abstract:

:We have used gel electrophoresis to measure the progress of local denaturation in closed circular pBR322 DNA as a function of temperature and linking deficiency, delta Lk. Local denaturation is closely coupled to supercoiling in closed DNA, requiring statistical mechanical methods for analysis. We have applied these methods to the experimental data to evaluate the free energies for three associated molecular processes. These processes are changes in the residual linking deficiency, delta Lkr, initiation of local denaturation, and twisting of denatured strands about one another. Our results confirm the quadratic dependence of the supercoiling free energy upon delta Lk, with a free energy coefficient of 740/N kcal/mol at 37 degrees C, where N is the number of base-pairs. The free energy of initiation of denaturation is 10.2(+/- 0.7) kcal/mol. The free energy of interstrand twisting of denatured regions varies with the square of the twist density, with proportionality coefficient C tau = 1.62 (+/- 0.11) kcal/rad2 at 37 degrees C. We have also calculated the entropy and enthalpy of these three processes, using the temperature dependence of the respective free energies. We find that both the entropy and the enthalpy of supercoiling are positive and vary quadratically with delta Lk. The free energy of initiation of denaturation is independent of temperature, hence arises primarily from a change in enthalpy. The entropy and enthalpy of interstrand twisting of denatured regions are both positive, and the twisting force constant decreases with temperature. These results differ considerably from expectations based solely upon considerations of chain configuration in vacuo, indicating the importance of solvent-dependent factors in determining the structure of closed circular DNA.

journal_name

J Mol Biol

authors

Bauer WR,Benham CJ

doi

10.1006/jmbi.1993.1669

subject

Has Abstract

pub_date

1993-12-20 00:00:00

pages

1184-96

issue

4

eissn

0022-2836

issn

1089-8638

pii

S0022-2836(83)71669-4

journal_volume

234

pub_type

杂志文章
  • The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.

    abstract::Precise regulation of dNTPs within the cellular nucleotide pool is essential for high accuracy of DNA replication and is critical for retaining the genomic integrity. Recently, human dCTPase (deoxycytidine triphosphatase), also known as DCTPP1 (human all-alpha dCTP pyrophosphatase 1), has been revealed to be a key pla...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2020.01.005

    authors: Scaletti E,Claesson M,Helleday T,Jemth AS,Stenmark P

    更新日期:2020-02-14 00:00:00

  • Mutations improving the folding of phage P22 tailspike protein affect its receptor binding activity.

    abstract::Four previously isolated mutations in Salmonella phage P22 tailspike protein were used to study the relationship between protein stability, folding, and function. Tailspike protein binds and hydrolyzes the repetitive O-antigen structure in Salmonella lipopolysaccharide. Four mutations (V331G, V331A, A334V, A334I) are ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1999.3165

    authors: Baxa U,Steinbacher S,Weintraub A,Huber R,Seckler R

    更新日期:1999-10-29 00:00:00

  • Common physical properties of DNA affecting target site selection of sleeping beauty and other Tc1/mariner transposable elements.

    abstract::Sleeping Beauty (SB) is the most active Tc1/mariner-type transposable element in vertebrates, and is therefore a valuable vector for transposon mutagenesis in vertebrate models and for human gene therapy. We have analyzed factors affecting target site selection of SB in mammalian cells, by generating transposition eve...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/s0022-2836(02)00991-9

    authors: Vigdal TJ,Kaufman CD,Izsvák Z,Voytas DF,Ivics Z

    更新日期:2002-10-25 00:00:00

  • Crystal structures of Enoyl-ACP reductases I (FabI) and III (FabL) from B. subtilis.

    abstract::Enoyl-[acyl carrier protein] (ACP) reductase (ENR) is a key enzyme in type II fatty acid synthesis that catalyzes the last step in each elongation cycle. Therefore, it has been considered as a target for antibiotics. However, recent studies indicate that some pathogens have more than one ENR; in particular, Bacillus s...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2010.12.003

    authors: Kim KH,Ha BH,Kim SJ,Hong SK,Hwang KY,Kim EE

    更新日期:2011-02-25 00:00:00

  • Structural organization of Acheta rDNA. Evidence for differential amplification of soma and germ-line-specific rDNA sequences.

    abstract::Amplification is one of the mechanisms whereby the expression of genes can be specifically reinforced. Ribosomal gene amplification in amphibian and insect oocytes is a particularly well documented case. We studied heterogeneity, amplification and size of Acheta domesticus (insects; Orthoptera) ribosomal DNA and chara...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(90)90381-U

    authors: Tröster H,Edström JE,Trendelenburg MF,Hofmann A

    更新日期:1990-12-05 00:00:00

  • A structural model for the DEAD box helicase YxiN in solution: localization of the RNA binding domain.

    abstract::DEAD box proteins consist of a common helicase core formed by two globular RecA domains that are separated by a cleft. The helicase core acts as a nucleotide-dependent switch that alternates between open and closed conformations during the catalytic cycle of duplex separation, thereby providing basic helicase activity...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2010.07.049

    authors: Karow AR,Klostermeier D

    更新日期:2010-10-01 00:00:00

  • Directed evolution of an anti-prion protein scFv fragment to an affinity of 1 pM and its structural interpretation.

    abstract::Bovine spongiform encephalopathy (BSE) is a fatal neurodegenerative prion disease affecting cattle that is transmissible to humans, manifesting as a variant of Creutzfeldt-Jakob disease (vCJD) likely following the consumption of meat contaminated with BSE prions. High-affinity antibodies are a prerequisite for the dev...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2006.07.027

    authors: Luginbühl B,Kanyo Z,Jones RM,Fletterick RJ,Prusiner SB,Cohen FE,Williamson RA,Burton DR,Plückthun A

    更新日期:2006-10-13 00:00:00

  • Autonomous and reversible folding of a soluble amino-terminally truncated segment of the mouse prion protein.

    abstract::Prion diseases are assumed to be caused by the infectious isoform, PrPsc, of a single cellular surface protein, PrPc. PrPsc is an insoluble form of PrPc and is believed to possess a different three-dimensional fold. It may propagate by causing PrPc to adopt its own infectious conformation by an unknown mechanism. Stud...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1996.0487

    authors: Hornemann S,Glockshuber R

    更新日期:1996-09-06 00:00:00

  • Accommodation of amino acid insertions in an alpha-helix of T4 lysozyme. Structural and thermodynamic analysis.

    abstract::One to four alanines were inserted by site-directed mutagenesis at three different locations within the alpha-helix comprising residues 39 to 50 in bacteriophage T4 lysozyme. All insertion mutants were correctly folded and catalytically active although the insertions led to a thermal destabilization by 1.1 to 4.2 kcal...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1994.1195

    authors: Heinz DW,Baase WA,Zhang XJ,Blaber M,Dahlquist FW,Matthews BW

    更新日期:1994-02-25 00:00:00

  • Occurrence of two architectural types of hexagonal bilayer hemoglobin in annelids: comparison of 3D reconstruction volumes of Arenicola marina and Lumbricus terrestris hemoglobins.

    abstract::A 3D reconstruction at 25 A resolution of native hemoglobin of the polychaete worm Arenicola marina was carried out from frozen-hydrated specimens examined in the electron microscope. The reconstruction volume of this large extracellular multimeric respiratory pigment appears as a hexagonal bilayer structure with ecli...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.2000.4344

    authors: Jouan L,Taveau JC,Marco S,Lallier FH,Lamy JN

    更新日期:2001-01-26 00:00:00

  • S4-16 S ribosomal RNA complex. Binding constant measurements and specific recognition of a 460-nucleotide region.

    abstract::The region of the Escherichia coli 16 S ribosomal RNA recognized by the ribosomal protein S4 has been defined by assaying a set of 13 16 S rRNA fragments for S4 binding. The fragments were prepared by transcription in vitro, and binding constants were measured in three ways: retention of labeled RNA fragments on nitro...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(89)90274-x

    authors: Vartikar JV,Draper DE

    更新日期:1989-09-20 00:00:00

  • Crystallization and preliminary X-ray data of a phleomycin-binding protein from Streptoalloteichus hindustanus.

    abstract::Large single crystals of a glycopeptide resistance protein encoded by the SH-ble gene from Streptoalloteichus hindustanus have been grown using vapor diffusion techniques with ammonium sulfate as the precipitant. The diffraction pattern extends to 2.0 A resolution. The crystals belong to space group P4(1)2(1)2 or P4(3...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(89)90476-2

    authors: Rondeau JM,Cagnon C,Moras D,Masson JM

    更新日期:1989-06-05 00:00:00

  • Preliminary crystallographic study of a complex between an heteroclitic anti-hen egg-white lysozyme antibody and the heterologous antigen pheasant egg-white lysozyme.

    abstract::We report the preparation, crystallization and preliminary X-ray crystallographic study of the Fab fragment from a heteroclitic murine (BALB/c) monoclonal anti-hen egg-white lysozyme antibody complexed with a heterologous antigen, pheasant lysozyme. The complex between the heterologous antigen and the antibody has bee...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(87)90132-x

    authors: Guillon V,Alzari PM,Poljak RJ

    更新日期:1987-09-20 00:00:00

  • Translated translational operator in Escherichia coli. Auto-regulation in the infC-rpmI-rplT operon.

    abstract::The genes coding for translation initiation factor IF3 (infC) and for the ribosomal proteins L35 (rpmI) and L20 (rplT) are transcribed in that order from a promoter in front of infC. The last two cistrons of the operon (rpmI and rplT) can be transcribed from a weak secondary promoter situated within the first cistron ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/S0022-2836(05)80208-6

    authors: Lesage P,Truong HN,Graffe M,Dondon J,Springer M

    更新日期:1990-06-05 00:00:00

  • The mathematics of SELEX against complex targets.

    abstract::We have developed a computer model for the simulation of simultaneous SELEX against multiple targets. The model assumes equilibrium behavior for the formation of binary ligand:target complexes, and that there is no ligand:ligand or target:target interaction. Target concentrations, ligand concentrations, and affinity d...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1998.1727

    authors: Vant-Hull B,Payano-Baez A,Davis RH,Gold L

    更新日期:1998-05-08 00:00:00

  • The eta-globin gene. Its long evolutionary history in the beta-globin gene family of mammals.

    abstract::In phylogenetic reconstructions by the parsimony method, utilizing 62 sequenced globin genes and pseudogenes (including 34 of the beta-globin gene family from eutherian orders Primates, Lagomorpha, Artiodactyla and Rodentia), the branch of primate psi beta pseudogenes and the goat embryonically expressed epsilon II ge...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(84)90258-4

    authors: Goodman M,Koop BF,Czelusniak J,Weiss ML

    更新日期:1984-12-25 00:00:00

  • A thiol labelling competition experiment as a probe for sidechain packing in the kinetic folding intermediate of N-PGK.

    abstract::Protein folding is directed by the sequence of sidechains along the polypeptide backbone, but despite this the developement of sidechain interactions during folding is not well understood. Here, the thiol-active reagent, dithio-nitrobenzoic acid (DTNB), is used to probe the exposure of the cysteine sidechain thiols in...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2006.09.014

    authors: Cliff MJ,Alizadeh T,Jelinska C,Craven CJ,Staniforth RA,Waltho JP

    更新日期:2006-12-08 00:00:00

  • Crystal structure of the three tandem FF domains of the transcription elongation regulator CA150.

    abstract::FF domains are small protein-protein interaction modules that have two flanking conserved phenylalanine residues. They are present in proteins involved in transcription, RNA splicing, and signal transduction, and often exist in tandem arrays. Although several individual FF domain structures have been determined by NMR...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2009.07.086

    authors: Lu M,Yang J,Ren Z,Sabui S,Espejo A,Bedford MT,Jacobson RH,Jeruzalmi D,McMurray JS,Chen X

    更新日期:2009-10-23 00:00:00

  • Cloning, DNA sequence, functional analysis and transcriptional regulation of the genes encoding dipicolinic acid synthetase required for sporulation in Bacillus subtilis.

    abstract::Dipicolinic acid (DPA) is a small polar molecule that accumulates to high concentrations in bacterial endospores, and is thought to play a role in spore heat resistance, or the maintenance of heat resistance. Previous work has shown that mutations in the spoVF locus of Bacillus subtilis prevent the formation of DPA, a...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1993.1403

    authors: Daniel RA,Errington J

    更新日期:1993-07-20 00:00:00

  • Three-dimensional solid-state NMR study of a seven-helical integral membrane proton pump--structural insights.

    abstract::Proteorhodopsin (PR) is a recently discovered ubiquitous eubacterial retinal-binding light-driven proton pump. Almost 1000 PR variants are widely distributed in species of marine and freshwater bacteria, suggesting PR's important photobiological role. PR is a typical seven-transmembrane alpha-helical membrane protein ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2009.01.011

    authors: Shi L,Ahmed MA,Zhang W,Whited G,Brown LS,Ladizhansky V

    更新日期:2009-03-06 00:00:00

  • Changes in the molecular packing of fibrillin microfibrils during extension indicate intrafibrillar and interfibrillar reorganization in elastic response.

    abstract::Fibrillin-rich microfibrils are the major structural components of the extracellular matrix that provide elasticity in a majority of connective tissues. The basis of elastic properties lies in the organization of fibrillin molecules, which, unfortunately, is still poorly understood. An X-ray diffraction study of hydra...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2008.09.004

    authors: Glab J,Wess T

    更新日期:2008-11-28 00:00:00

  • The putative DNA-binding protein Sto12a from the thermoacidophilic archaeon Sulfolobus tokodaii contains intrachain and interchain disulfide bonds.

    abstract::The Sto12a protein, from the thermoacidophilic archaeon Sulfolobus tokodaii, has been identified as a small putative DNA-binding protein. Most of the proteins with a high level of amino acid sequence homology to this protein are derived from members of the Sulfolobaceae family, including a transcriptional regulator. W...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2007.07.051

    authors: Shinkai A,Sekine S,Urushibata A,Terada T,Shirouzu M,Yokoyama S

    更新日期:2007-10-05 00:00:00

  • Tau Modulates VGluT1 Expression.

    abstract::Tau displacement from microtubules is the first step in the onset of tauopathies and is followed by toxic protein aggregation. However, other non-canonical functions of Tau might have a role in these pathologies. Here, we demonstrate that a small amount of Tau localizes in the nuclear compartment and accumulates in bo...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2019.01.023

    authors: Siano G,Varisco M,Caiazza MC,Quercioli V,Mainardi M,Ippolito C,Cattaneo A,Di Primio C

    更新日期:2019-02-15 00:00:00

  • Crystal structure of Escherichia coli malate dehydrogenase. A complex of the apoenzyme and citrate at 1.87 A resolution.

    abstract::The crystal structure of malate dehydrogenase from Escherichia coli has been determined with a resulting R-factor of 0.187 for X-ray data from 8.0 to 1.87 A. Molecular replacement, using the partially refined structure of porcine mitochondrial malate dehydrogenase as a probe, provided initial phases. The structure of ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(92)90637-y

    authors: Hall MD,Levitt DG,Banaszak LJ

    更新日期:1992-08-05 00:00:00

  • Molecular determinants for substrate specificity of the ligand-binding protein OpuAC from Bacillus subtilis for the compatible solutes glycine betaine and proline betaine.

    abstract::Compatible solutes play a decisive role in the defense of microorganisms against changes in temperature and increases in osmolarity in their natural habitats. In Bacillus subtilis, the substrate-binding protein (SBP)-dependent ABC-transporter OpuA serves for the uptake of the compatible solutes glycine betaine (GB) an...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2005.12.085

    authors: Horn C,Sohn-Bösser L,Breed J,Welte W,Schmitt L,Bremer E

    更新日期:2006-03-24 00:00:00

  • Electron microscopy of decorated crystals for the determination of crystallographic rotation and translation parameters in large protein complexes.

    abstract::The lumazine synthase/riboflavin synthase complex of Bacillus subtilis consists of an icosahedral capsid of 60 beta subunits enclosing a core of 3 alpha subunits. The preparation of reconstituted hollow capsids consisting of 60 beta subunits and their crystallization in a hexagonal (space group P6(3)22) and in a monoc...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(92)90105-s

    authors: Bacher A,Weinkauf S,Bachmann L,Ritsert K,Baumeister W,Huber R,Ladenstein R

    更新日期:1992-06-20 00:00:00

  • D-polyglutamine amyloid recruits L-polyglutamine monomers and kills cells.

    abstract::Polyglutamine (polyQ) amyloid fibrils are observed in disease tissue and have been implicated as toxic agents responsible for neurodegeneration in expanded CAG repeat diseases such as Huntington's disease. Despite intensive efforts, the mechanism of amyloid toxicity remains unknown. As a novel approach to probing poly...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2013.11.019

    authors: Kar K,Arduini I,Drombosky KW,van der Wel PC,Wetzel R

    更新日期:2014-02-20 00:00:00

  • Crystal structure of BstYI at 1.85A resolution: a thermophilic restriction endonuclease with overlapping specificities to BamHI and BglII.

    abstract::We report here the structure of BstYI, an "intermediate" type II restriction endonuclease with overlapping sequence specificities to BamHI and BglII. BstYI, a thermophilic endonuclease, recognizes and cleaves the degenerate hexanucleotide sequence 5'-RGATCY-3' (where R=A or G and Y=C or T), cleaving DNA after the 5'-R...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2004.02.074

    authors: Townson SA,Samuelson JC,Vanamee ES,Edwards TA,Escalante CR,Xu SY,Aggarwal AK

    更新日期:2004-05-07 00:00:00

  • Identification of a unique Fe-S cluster binding site in a glycyl-radical type microcompartment shell protein.

    abstract::Recently, progress has been made toward understanding the functional diversity of bacterial microcompartment (MCP) systems, which serve as protein-based metabolic organelles in diverse microbes. New types of MCPs have been identified, including the glycyl-radical propanediol (Grp) MCP. Within these elaborate protein c...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2014.07.018

    authors: Thompson MC,Wheatley NM,Jorda J,Sawaya MR,Gidaniyan SD,Ahmed H,Yang Z,McCarty KN,Whitelegge JP,Yeates TO

    更新日期:2014-09-23 00:00:00

  • The conserved asparagine in the HNH motif serves an important structural role in metal finger endonucleases.

    abstract::The HNH motif is a small nucleic acid binding and cleavage module, widespread in metal finger endonucleases in all life kingdoms. Here we studied a non-specific endonuclease, the nuclease domain of ColE7 (N-ColE7), to decipher the role of the conserved asparagine and histidine residues in the HNH motif. We found, usin...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2007.02.044

    authors: Huang H,Yuan HS

    更新日期:2007-05-04 00:00:00