Long-range structural effects in supercoiled DNA: statistical thermodynamics reveals a correlation between calculated cooperative melting and contextual influence on cruciform extrusion.

Abstract:

:We have previously described [K. M. Sullivan and D. M. J. Lilley (1986) Cell 47, 817-827] a set of sequences, called C-type inducing sequences, which cause cruciform extrusion by adjacent inverted repeats to occur by an abnormal kinetic pathway involving a large denatured region of DNA. In this paper we apply statistical thermodynamic DNA helix melting theory to these sequences. We find a marked correlation between the ability of sequences to confer C-type cruciform character experimentally and their calculated propensity to undergo cooperative melting, and no exceptions have been found. The correlations are both qualitative and quantitative. Thus the ColE1 flanking sequences behave as single melting units, while the DNA of the S-type plasmid pIRbke8 exhibits no propensity to melt in the region of the bke cruciform. The results of the calculations are also fully consistent with the following experimental observations: 1. the ability of the isolated colL and colR fragments of the ColE1 flanking sequences, as well as the short sequence col30, to confer C-type character; 2. C-type induction by an A + T rich Drosophila sequence; 3. low-temperature cruciform extrusion by an (AT)34 sequence; 4. the effect of changing sequences at a site 90 base pairs (bp) removed from the inverted repeat; 5. the effects of systematic deletion of the colL sequence; and 6. the effects of insertion of various sequences in between the colL sequence and the xke inverted repeat. These studies show that telestability effects on thermal denaturation as predicted from equilibrium helix melting theory of linear DNA molecules may explain all the features that are revealed by studying the extrusion of cruciforms in circular DNA molecules subjected to superhelical stress.

journal_name

Biopolymers

journal_title

Biopolymers

authors

Schaeffer F,Yeramian E,Lilley DM

doi

10.1002/bip.360280810

subject

Has Abstract

pub_date

1989-08-01 00:00:00

pages

1449-73

issue

8

eissn

0006-3525

issn

1097-0282

journal_volume

28

pub_type

杂志文章
  • Synthetic peptide and template-assembled synthetic protein models of the hen egg white lysozyme 87-97 helix: importance of a protein-like framework for conformational stability in a short peptide sequence.

    abstract::In the native structure of hen egg white lysozyme (HEL), the amino acid sequence 87-97 (HEL 87-97) forms an amphiphilic helix, with hydrophilic residues in the sequence directed toward the solvent. A synthetic version of the HEL 87-97 sequence (with the cysteine corresponding to position 94 of HEL replaced by alanine)...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360330307

    authors: Vuilleumier S,Mutter M

    更新日期:1993-03-01 00:00:00

  • Dynamics and structures of DNA: long-range effects of a 16 base-pair (CG)8 sequence on secondary structure.

    abstract::The effects of inserting 16 base pair (bp) of alternating CG [(CG)8] near the middle of a much longer restriction fragment (1097 bp) are investigated by measuring various properties that are sensitive to secondary and tertiary structure. Results for this fragment are compared with those for a control fragment (1089 bp...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360331110

    authors: Kim US,Fujimoto BS,Furlong CE,Sundstrom JA,Humbert R,Teller DC,Schurr JM

    更新日期:1993-11-01 00:00:00

  • Molecular dynamics simulation studies of induced fit and conformational capture in U1A-RNA binding: do molecular substates code for specificity?

    abstract::Molecular dynamics (MD) simulations on stem loop 2 of U1 small nuclear RNA and a construct of the U1A protein were carried out to obtain predictions of the structures for the unbound forms in solution and to elucidate dynamical aspects of induced fit upon binding. A crystal structure of the complex between the U1A pro...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.10251

    authors: Pitici F,Beveridge DL,Baranger AM

    更新日期:2002-12-15 00:00:00

  • Equilibrium unfolding of the poly(glutamic acid)20 helix.

    abstract::The equilibrium structural ensemble of a 20-residue polyglutamic acid peptide (E(20)) was studied with FRET, circular dichroism, and molecular dynamics (MD) simulations. A FRET donor, o-aminobenzamide, and acceptor, 3-nitrotyrosine, were introduced at the N- and C-termini, respectively. Circular dichroism, steady stat...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.20719

    authors: Finke JM,Jennings PA,Lee JC,Onuchic JN,Winkler JR

    更新日期:2007-06-15 00:00:00

  • Alpha-helix to random coil transitions: determination of peptide concentration from the CD at the isodichroic point.

    abstract::A method is presented for determining the concentrations of peptides and proteins having isodichroic points near 203 nm. The existence of an isodichroic point for a given substance indicates a local two-state (alpha-helix, random coil) population. The mean residue ellipticity at the isodichroic point, [theta lambda i]...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360321209

    authors: Holtzer ME,Holtzer A

    更新日期:1992-12-01 00:00:00

  • Evidence for a strong selenium-aromatic interaction derived from crystallographic data and ab initio quantum chemical calculations.

    abstract::Increasing attention is being paid to the role of selenium, both as an essential component required for the activity of many enzymes and in the context of selenium-based pharmaceutical agents. A wide range of therapeutics that include selenium are on the market and under development, such as antihypertensive, anticanc...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.20592

    authors: Hartman I,Raia CA,Zauhar RJ

    更新日期:2006-12-15 00:00:00

  • Thermodynamic and kinetic characterization of the dissociation and assembly of quadruplex nucleic acids.

    abstract::The dissociation and assembly of quadruplex DNA structures (and a few quadruplex RNAs) have been characterized at several levels of rigor, ranging from gross descriptions of factors that govern each process, to semiquantitative comparisons of the relative abilities of these factors to induce stabilization or destabili...

    journal_title:Biopolymers

    pub_type: 杂志文章,评审

    doi:10.1002/1097-0282(2000/2001)56:3<147::AID-BIP10011

    authors: Hardin CC,Perry AG,White K

    更新日期:2000-01-01 00:00:00

  • The role of DNA-protein salt bridges in molecular recognition: a model study.

    abstract::A theoretical study is presented of the influence of salt bridges between cationic side chains and DNA phosphates on DNA conformation and flexibility. The DNA sequence studied is that of the catabolite activator protein binding oligomer from the crystallized complex. The effect of salt bridges is modeled by neutraliza...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/(SICI)1097-0282(19990405)49:4<313::AID-BIP

    authors: Gurlie R,Duong TH,Zakrzewska K

    更新日期:1999-04-01 00:00:00

  • Hydration effects on dynamics of polyglycine and sodium poly(L-glutamate).

    abstract::Solid state nmr methods were applied to the study of the motions and structural heterogeneity in polyglycine, sodium poly(L-glutamate), and poly(L-alanine). The response of both the main-chain and side-chain resonances to the addition of water was studied using static and magic-angle sample-spinning line shapes as wel...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360300705

    authors: Kennedy SD,Bryant RG

    更新日期:1990-01-01 00:00:00

  • The synthesis of phosphopeptides.

    abstract::Phosphorylation and dephosphorylation are key events in protein expression and regulation and in signal transduction. Phosphopeptides are very useful reagents for the study of these processes, and have been used to great advantage in the study of phosphatase substrate specificity, SH2 domain ligand specificity, and pr...

    journal_title:Biopolymers

    pub_type: 杂志文章,评审

    doi:10.1002/1097-0282(2001)60:1<3::AID-BIP1001>3.0.CO;

    authors: McMurray JS,Coleman DR 4th,Wang W,Campbell ML

    更新日期:2001-01-01 00:00:00

  • Expression and characterization of chimeric spidroins from flagelliform-aciniform repetitive modules.

    abstract::Spiders can produce up to seven different types of silks or glues with different mechanical properties. Of these, flagelliform (Flag) silk is the most elastic, and aciniform (AcSp1) silk is the toughest. To produce a chimeric spider silk (spidroin) FlagR -AcSp1R , we fused one repetitive module of flagelliform silk fr...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.23404

    authors: Tian LY,Meng Q,Lin Y

    更新日期:2020-12-01 00:00:00

  • Configurational preference of pyrrolidine-based oxy-peptide nucleic acids as hybridization counterparts with DNA and RNA.

    abstract::A new series of oxy-peptide nucleic acids (pyrrolidine-based oxy-peptide nucleic acids = POPNAs) of four different stereoisomeric forms (cis-L, cis-D, trans-L, trans-D) have been synthesized. To find a favorable stereoisomer of POPNA for hybridization with DNA or RNA, thermodynamic parameters and conformations of the ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.20364

    authors: Kitamatsu M,Shigeyasu M,Saitoh M,Sisido M

    更新日期:2006-01-01 00:00:00

  • Influence of structure of human, rat, and bovine serum albumins on binding properties of photoactive drug hypericin.

    abstract::Fluorescence binding measurements and molecular modeling were employed to study the interaction of hypericin (Hyp) with human (HSA), rat (RSA), and bovine (BSA) serum albumins. Fluorescence emission data show the solubility of Hyp increasing in the order BSA, HSA, and RSA. Molecular modeling was used to construct the ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.10110

    authors: Hritz J,Kascakova S,Ulicny J,Miskovsky P

    更新日期:2002-01-01 00:00:00

  • Conformation and formation tendency of the cyclotetrapeptide cyclo (D-Pro-D-Pro-L-Pro-L-Pro): experimental results and molecular modeling studies.

    abstract::The title compound represents the smallest member of cyclic proline peptides corresponding to the general formula c(DDLL-Pro4)n with a strictly D,D,L,L double-alternating sequence of the chiral amino acid residues. The cyclopeptides with n greater than or equal to 2 could be synthesized from both DDLL-Pro4 (1) and DLL...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360310618

    authors: Mästle W,Link U,Witschel W,Thewalt U,Weber T,Rothe M

    更新日期:1991-05-01 00:00:00

  • On-resin N-terminal peptoid degradation: Toward mild sequencing conditions.

    abstract::A novel approach to sequentially degrade peptoid N-terminal N-(substituted)glycine residues on the solid-phase using very mild conditions is reported. This method relies on the treatment of resin-bound, bromoacetylated peptoids with silver perchlorate in THF, leading to an intramolecular cyclization reaction to libera...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22884

    authors: Proulx C,Noë F,Yoo S,Connolly MD,Zuckermann RN

    更新日期:2016-09-01 00:00:00

  • Molecular dynamics simulation study on the interaction of collagen-like peptides with gelatinase-A (MMP-2).

    abstract::Although several models have been proposed for the interaction of collagen with gelatinase-A (matrix metalloproteinases-2 (MMP-2)), the extensive role of each domain of gelatinase A in hydrolyzing the collagens with and without interruptions is still elusive. Molecular docking, molecular dynamics (MD) simulation, norm...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22457

    authors: Azhagiya Singam ER,Rajapandian V,Subramanian V

    更新日期:2014-07-01 00:00:00

  • An interplay between electrostatic and polar interactions in peptide hydrogels.

    abstract::Inherent chemical programmability available in peptide-based hydrogels has allowed diversity in the development of these materials for use in biomedical applications. Within the 20 natural amino acids, a range of chemical moieties are present. Here we used a mixing-induced self-assembly of two oppositely charged pepti...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22194

    authors: Joyner K,Taraban MB,Feng Y,Yu YB

    更新日期:2013-04-01 00:00:00

  • A study of the conformations of valinomycin in solution phase.

    abstract::Vibrational absorption and vibrational circular dichroism (VCD) spectra of valinomycin are measured, in different solvents, in the ester and amide carbonyl stretching regions. The influence of cations, namely Li(+), Na(+), K(+), and Cs(+), in methanol-d(4) solvent is also investigated. Ab initio quantum mechanical cal...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.20103

    authors: Wang F,Zhao C,Polavarapu PL

    更新日期:2004-09-01 00:00:00

  • Synthesis, biological activity, and conformational analysis of [pGlu6,N-MePhe8,Aib9] substance P (6-11): a selective agonist for the NK-3 receptor.

    abstract::A highly potent and selective agonist to the tachykinin NK-3 receptor, [pGlu6,N-MePhe8,Aib9] substance P (6-11) (I), was synthesized via the solid phase method. The ED50 of I was 4 nM in the guinea pig ileum in the absence of atropine (NK-1+NK-3 receptors) and this agonist was 5000-fold less potent in the presence of ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360330607

    authors: Tallon M,Ron D,Halle D,Amodeo P,Saviano G,Temussi PA,Selinger Z,Naider F,Chorev M

    更新日期:1993-06-01 00:00:00

  • Raman signatures of ligand binding and allosteric conformation change in hexameric insulin.

    abstract::Hexameric insulin is an allosteric protein that undergoes transitions between three conformational states (T(6), T(3)R(3), and R(6)). These allosteric states are stabilized by the binding of ligands to the phenolic pockets and by the coordination of anions to the His B10 metal sites. Raman difference (RD) spectroscopy...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.1020

    authors: Ferrari D,Diers JR,Bocian DF,Kaarsholm NC,Dunn MF

    更新日期:2001-01-01 00:00:00

  • Challenges in mass spectrometry-based quantification of bioactive peptides: a case study exploring the neuropeptide Y family.

    abstract::The study of biologically active peptides is critical to the understanding of physiological pathways, especially those involved in the development of disease. Historically, the measurement of biologically active endogenous peptides has been undertaken by radioimmunoassay, a highly sensitive and robust technique that p...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22109

    authors: Xi L,Jin Y,Parker EA,Josh P,Jones A,Wijffels G,Colgrave ML

    更新日期:2012-01-01 00:00:00

  • S curve, a graphic representation of protein secondary structure sequence and its applications.

    abstract::A secondary structure sequence is a symbolic string composed of three kinds of letters, indicating the helix, strand, and coil (including turns), respectively. A graphic representation for this abstract symbolic sequence is proposed here, called the S curve. The S curve is the unique representation for a given seconda...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/(SICI)1097-0282(200006)53:7<539::AID-BIP2>

    authors: Zhang CT,Zhang R

    更新日期:2000-06-01 00:00:00

  • Fourier transform IR spectroscopy study for new insights into molecular properties and activation mechanisms of visual pigment rhodopsin.

    abstract::Fourier transform IR (FTIR) spectroscopy has been successfully applied in recent years to examine the functional and structural properties of the membrane protein rhodopsin, a prototype G protein coupled receptor. Unlike UV-visible spectroscopy, FTIR spectroscopy is structurally sensitive. It may give us both global i...

    journal_title:Biopolymers

    pub_type: 杂志文章,评审

    doi:10.1002/bip.10407

    authors: Vogel R,Siebert F

    更新日期:2003-01-01 00:00:00

  • Effect of EGCG On Fe(III)-induced conformational transition of silk fibroin, a model of protein related to neurodegenerative diseases.

    abstract::The abnormal aggregation of amyloid proteins is reported to play a critical role in the etiology of neurodegenerative disorders. Studies have shown that excessive ferric irons are associated with the misfolding of amyloid proteins, and that (-)-epigallocatechin gallate (EGCG) is a good metallic ion chelator with inhib...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22752

    authors: Xu L,Tu S,Chen C,Zhao J,Zhang Y,Zhou P

    更新日期:2016-02-01 00:00:00

  • Beta-hairpin stabilization in a 28-residue peptide derived from the beta-subunit sequence of human chorionic gonadotropin hormone.

    abstract::The beta-subunit of the human chorionic gonadotropin (hCG) hormone, which is believed to be related to certain types of cancer, contains three hairpin-like fragments. To investigate the role of beta-hairpin formation in the early stages of the hCGbeta folding, a 28-residue peptide with the sequence RDVRFESIRLPGSPRGVNP...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/(SICI)1097-0282(19991005)50:4<413::AID-BIP

    authors: Silva RA,Sherman SA,Keiderling TA

    更新日期:1999-10-05 00:00:00

  • External reversible control of recognition behavior of alpha-peptide ribonucleic acid (alpha-PRNA) through anti-syn orientational switching of the nucleobase induced by borate esterification of the cis-2',3'-diol.

    abstract::A novel nucleic acid model using peptide ribonucleic acid (PRNA), which contains 5'-amino-5'-deoxypyrimidine ribonucleoside as a recognition site for nucleic acids, has been designed, synthesized and applied to the external reversible control of recognition behavior of the complementary polynucleotide through the orie...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.10563

    authors: Wada T,Sato H,Inoue Y

    更新日期:2004-01-01 00:00:00

  • Revisiting "reverse hydrophobic effect": applicable only to coil mutations at the surface.

    abstract::In a seminal paper, Pakula and Sauer (Nature, 1990, 344, 363-364) demonstrated that the increase in side-chain hydrophobicity has a reverse relationship with protein stability. We have addressed this problem with several examples of mutants that span at different locations in protein structure based on secondary struc...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.21187

    authors: Gromiha MM

    更新日期:2009-07-01 00:00:00

  • A primer in macromolecular linguistics.

    abstract::Polymeric macromolecules, when viewed abstractly as strings of symbols, can be treated in terms of formal language theory, providing a mathematical foundation for characterizing such strings both as collections and in terms of their individual structures. In addition this approach offers a framework for analysis of ma...

    journal_title:Biopolymers

    pub_type: 杂志文章,评审

    doi:10.1002/bip.22101

    authors: Searls DB

    更新日期:2013-03-01 00:00:00

  • Solvent reorganization contribution to the transfer thermodynamics of small nonpolar molecules.

    abstract::The experimental thermodynamic data for the dissolution of five simple hydrocarbon molecules in water were combined with the solute-solvent interaction energy from a computer simulation study to yield data on the enthalpy change of solvent reorganization. Similar data were generated for dissolving these same solute mo...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360310809

    authors: Lee B

    更新日期:1991-07-01 00:00:00

  • Revisiting the neighbor exclusion model and its applications.

    abstract::We review the neighbor exclusion model and some of its applications to analyze the binding data of DNA-ligand complexes. We revisit the closed form of the model developed by McGhee and von Hippel in 1974, showing that this classic model can be used to help studying the behavior of DNA contour and persistence lengths w...

    journal_title:Biopolymers

    pub_type: 杂志文章,评审

    doi:10.1002/bip.21296

    authors: Rocha MS

    更新日期:2010-01-01 00:00:00