An interactive framework for RNA secondary structure prediction with a dynamical treatment of constraints.

Abstract:

:A novel approach aiding in the prediction of RNA secondary structures is presented. Although phylogenetic methods are the most successful at deriving RNA secondary structures, the are not applicable when the number of sequences or the sequence variability is too low. Methods based on energy minimization are therefore of great interest. However, some of the suboptimal RNA secondary structures computed with classic methods are unsaturated structures, i.e. some structures are included into others. Thus, the incorporation of constraints during the process of folding is not possible, while the incorporation of constraints before the process of folding often introduces a bias into the energy function. This paper describes a new procedure which allows for the incorporation of constraints before and during the process of RNA folding. SAPSSARN is an interactive program which offers a framework, both to specify a secondary structure through a set of folding constraints and to compute all the supoptimal saturated RNA secondary structures which satisfy all the folding constraints. At the start, it relies on the computation of the probabilities of pairing of each base with all others according to McCaskill's algorithm. The constraint satisfaction formulation of the problem deals dynamically with a chosen set of folding constraints and, finally, a search algorithm computes all the suboptimal saturated secondary structures which satisfy those folding constraints. Within such a framework, it is possible to test new ideas about RNA folding and secondary structures, including pseudoknots, can be computed. The program is illustrated with RNA sequences on which we obtained results in agreement with known structures by using a protocol which mimics the hierarchical folding of RNA molecules.

journal_name

J Mol Biol

authors

Gaspin C,Westhof E

doi

10.1006/jmbi.1995.0608

subject

Has Abstract

pub_date

1995-11-24 00:00:00

pages

163-74

issue

2

eissn

0022-2836

issn

1089-8638

pii

S0022-2836(85)70608-0

journal_volume

254

pub_type

杂志文章
  • ncEP: A Manually Curated Database for Experimentally Validated ncRNA-encoded Proteins or Peptides.

    abstract::Noncoding RNAs (ncRNAs), such as lncRNAs, circRNAs and pri-miRNAs, play important roles in physiological and pathological processes. Recently, it was demonstrated that they could encode proteins or peptides. However, relevant information is scattered across numerous published articles, which is inconvenient for the ex...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2020.02.022

    authors: Liu H,Zhou X,Yuan M,Zhou S,Huang YE,Hou F,Song X,Wang L,Jiang W

    更新日期:2020-05-15 00:00:00

  • RasIns: Genetically Encoded Intrabodies of Activated Ras Proteins.

    abstract::K- and H-Ras are the most commonly mutated genes in human tumors and are critical for conferring and maintaining the oncogenic phenotype in tumors with poor prognoses. Here, we design genetically encoded antibody-like ligands (intrabodies) that recognize active, GTP-bound K- and H-Ras. These ligands, which use the 10t...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2016.11.008

    authors: Cetin M,Evenson WE,Gross GG,Jalali-Yazdi F,Krieger D,Arnold D,Takahashi TT,Roberts RW

    更新日期:2017-02-17 00:00:00

  • Structural assembly of the active site in an aldo-keto reductase by NADPH cofactor.

    abstract::A 1.9 A resolution X-ray structure of the apo-form of Corynebacterium 2,5-diketo-d-gluconic acid reductase A (2,5-DKGR A), a member of the aldo-keto reductase superfamily, has been determined by molecular replacement using the NADPH-bound form of the same enzyme as the search model. 2,5-DKGR A catalyzes the NADPH-depe...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.2001.4739

    authors: Sanli G,Blaber M

    更新日期:2001-06-22 00:00:00

  • Thermus thermophilus cytochrome-c552: A new highly thermostable cytochrome-c structure obtained by MAD phasing.

    abstract::The three-dimensional structure of cytochrome-c552 from Thermus thermophilus has been determined by the multiple anomalous dispersion technique using synchrotron radiation and refined to a resolution of 1.28 A. Data collection at 90 K and the recording of three data sets (f'-minimum: 7125 eV, f"-maximum: 7138 eV and r...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1997.1181

    authors: Than ME,Hof P,Huber R,Bourenkov GP,Bartunik HD,Buse G,Soulimane T

    更新日期:1997-08-29 00:00:00

  • Protein oligomerization through domain swapping: role of inter-molecular interactions and protein concentration.

    abstract::Domain swapping has been shown to be an important mechanism controlling multiprotein assembly and has been suggested recently as a possible mechanism underlying protein aggregation. Understanding oligomerization via domain swapping is therefore of theoretical and practical importance. By using a symmetrized structure-...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2005.06.062

    authors: Yang S,Levine H,Onuchic JN

    更新日期:2005-09-09 00:00:00

  • NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability.

    abstract::Here we determined NMR solution structures of two mutants of bovine pancreatic trypsin inhibitor (BPTI) to reveal structural reasons of their decreased thermodynamic stability. A point mutation, A16V, in the solvent-exposed loop destabilizes the protein by 20 degrees C, in contrast to marginal destabilization observed...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/s0022-2836(02)00620-4

    authors: Cierpicki T,Otlewski J

    更新日期:2002-08-23 00:00:00

  • Mutational analysis of target base flipping by the EcoRV adenine-N6 DNA methyltransferase.

    abstract::DNA methyltransferases flip their target base out of the DNA helix. Here, we have investigated base flipping by wild-type EcoRV DNA methyltransferase (M.EcoRV) and five M.EcoRV variants (D193A, Y196A, S229A, W231R and Y258A). These variants bind to DNA and S-adenosylmethionine but have a severely reduced catalytic eff...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1998.2389

    authors: Jeltsch A,Roth M,Friedrich T

    更新日期:1999-01-22 00:00:00

  • Structural evidence of a passive base-flipping mechanism for AGT, an unusual GT-B glycosyltransferase.

    abstract::The Escherichia coli T4 bacteriophage uses two glycosyltransferases to glucosylate and thus protect its DNA: the retaining alpha-glucosyltransferase (AGT) and the inverting beta-glucosyltransferase (BGT). They glucosylate 5-hydroxymethyl cytosine (5-HMC) bases of duplex DNA using UDP-glucose as the sugar donor to form...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2005.07.007

    authors: Larivière L,Sommer N,Moréra S

    更新日期:2005-09-09 00:00:00

  • Construction of new ligand binding sites in proteins of known structure. I. Computer-aided modeling of sites with pre-defined geometry.

    abstract::We have devised a molecular model building computer program (DEZYMER) which builds new ligand binding sites into a protein of known three-dimensional structure. It alters only the sequence and the side-chain structure of the protein, leaving the protein backbone fold intact by definition. The program searches for a co...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(91)90510-d

    authors: Hellinga HW,Richards FM

    更新日期:1991-12-05 00:00:00

  • Designing out disulfide bonds of leech carboxypeptidase inhibitor: implications for its folding, stability and function.

    abstract::Leech carboxypeptidase inhibitor (LCI) is a 67-residue, tight-binding metallocarboxypeptidase inhibitor composed of a compact domain with a five-stranded beta-sheet and a short alpha-helix that are strongly stabilized by four disulfide bonds. In this study, we investigated the contribution of each particular disulfide...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2009.06.049

    authors: Arolas JL,Castillo V,Bronsoms S,Aviles FX,Ventura S

    更新日期:2009-09-18 00:00:00

  • Efficient recovery of high-affinity antibodies from a single-chain Fab yeast display library.

    abstract::Yeast display is a powerful technology for the isolation of monoclonal antibodies (mAbs) against a target antigen. Antibody libraries have been displayed on the surface of yeast as both single-chain variable fragment (scFv) and antigen binding fragment (Fab). Here, we combine these two formats to display well-characte...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2009.04.019

    authors: Walker LM,Bowley DR,Burton DR

    更新日期:2009-06-05 00:00:00

  • Novel aspects of the acid response network of E. coli K-12 are revealed by a study of transcriptional dynamics.

    abstract::Understanding gene regulation and its adaptive significance requires not only a detailed knowledge of individual molecular interactions that give rise to changes in gene expression but also an overview of complete genetic networks and the ways in which components within them interact. Increasingly, such studies are be...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2010.06.054

    authors: Burton NA,Johnson MD,Antczak P,Robinson A,Lund PA

    更新日期:2010-09-03 00:00:00

  • Catabolism of phenylalanine by Pseudomonas putida: the NtrC-family PhhR regulator binds to two sites upstream from the phhA gene and stimulates transcription with sigma70.

    abstract::Pseudomonas putida uses L-phenylalanine as the sole nitrogen source for growth by converting L-phenylalanine to L-tyrosine, which acts as a donor of the amino group. This metabolic step requires the products of the phhA and phhB genes, which form an operon. Expression of the phhA promoter is mediated by the phhR gene ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2006.12.008

    authors: Herrera MC,Ramos JL

    更新日期:2007-03-09 00:00:00

  • Trypanosoma brucei variant-specific glycoprotein gene chromatin is sensitive to single-strand-specific endonuclease digestion.

    abstract::Active variant surface glycoprotein (VSG) gene chromatin is preferentially digested by the restriction enzyme HinfI in nuclei of bloodstream variants of Trypanosoma brucei. HinfI sensitivity of VSG gene chromatin is not observed in nuclei of relapse variants in which the VSG gene has been inactivated in situ. Active V...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(87)90559-6

    authors: Greaves DR,Borst P

    更新日期:1987-10-05 00:00:00

  • Homotropic effects in aspartate transcarbamoylase. What happens when the enzyme binds a single molecule of the bisubstrate analog N-phosphonacetyl-L-aspartate?

    abstract::The active sites of aspartate transcarbamoylase from Escherichia coli were titrated by measuring the decrease in the enzyme-catalyzed arsenolysis of N-carbamoyl-L-aspartate caused by the addition of the tight-binding inhibitor, N-phosphonacetyl-L-aspartate. Because the enzyme is a poor catalyst for this non-physiologi...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(85)90267-0

    authors: Foote J,Schachman HK

    更新日期:1985-11-05 00:00:00

  • NMR solution structure of Mob1, a mitotic exit network protein and its interaction with an NDR kinase peptide.

    abstract::Proteins of the Mob1/phocein family are found in all eukaryotic cells. In yeast, they are activating subunits of Dbf2-related protein kinases involved in cell cycle control. Despite the wide occurrence of these proteins, their biological functions remain poorly understood. Here we report the solution structure of the ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2004.01.010

    authors: Ponchon L,Dumas C,Kajava AV,Fesquet D,Padilla A

    更新日期:2004-03-12 00:00:00

  • Interaction of the Dengue virus fusion peptide with membranes assessed by NMR: The essential role of the envelope protein Trp101 for membrane fusion.

    abstract::Dengue virus (DV) infection depends on a step of membrane fusion, which occurs in the acidic environment of the endosome. This process is mediated by virus surface envelope glycoprotein, in which the loop between residues D98-G112 is considered to be crucial, acting as a fusion peptide. Here, we have characterized fun...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2009.07.035

    authors: Melo MN,Sousa FJ,Carneiro FA,Castanho MA,Valente AP,Almeida FC,Da Poian AT,Mohana-Borges R

    更新日期:2009-09-25 00:00:00

  • Preliminary X-ray studies on an unspecific NAD(P)H dehydrogenase from human erythrocytes.

    abstract::Crystals of a relatively unspecific NAD(P)H dehydrogenase from human erythrocytes suitable for X-ray analysis have been grown. They belong to space group P4(1)2(1)2 or its enantiomorph P4(3)2(1)2 with unit cell dimensions: a = b = 79.3 A and c = 38.1 A. The asymmetric unit contains one molecule of Mr 18,000. ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(84)90093-7

    authors: Pai EF

    更新日期:1984-04-25 00:00:00

  • DRoP: a water analysis program identifies Ras-GTP-specific pathway of communication between membrane-interacting regions and the active site.

    abstract::Ras GTPase mediates several cellular signal transduction pathways and is found mutated in a large number of cancers. It is active in the GTP-bound state, where it interacts with effector proteins, and at rest in the GDP-bound state. The catalytic domain is tethered to the membrane, with which it interacts in a nucleot...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2013.10.036

    authors: Kearney BM,Johnson CW,Roberts DM,Swartz P,Mattos C

    更新日期:2014-02-06 00:00:00

  • β-Lactamases and β-Lactamase Inhibitors in the 21st Century.

    abstract::The β-lactams retain a central place in the antibacterial armamentarium. In Gram-negative bacteria, β-lactamase enzymes that hydrolyze the amide bond of the four-membered β-lactam ring are the primary resistance mechanism, with multiple enzymes disseminating on mobile genetic elements across opportunistic pathogens su...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.jmb.2019.04.002

    authors: Tooke CL,Hinchliffe P,Bragginton EC,Colenso CK,Hirvonen VHA,Takebayashi Y,Spencer J

    更新日期:2019-08-23 00:00:00

  • The innermost chorionic layer of Drosophila. I. The role of chorin octamers in the formation of a family of interdigitating crystalline plates.

    abstract::The innermost chorionic layer (ICL) within egg shells of Drosophila melanogaster is composed of thin, abutting three-dimensional crystalline plates which form a closed, membrane-like sheath. Collectively, the crystals within the sheath appear to form a family of related three-dimensional crystals in space group C222; ...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(87)90350-0

    authors: Akey CW,Edelstein SJ

    更新日期:1987-02-20 00:00:00

  • Crystallization and preliminary X-ray diffraction studies of human RANTES.

    abstract::The chemotactic cytokine RANTES (Regulated on Activation, Normal T-cell Expressed and Secreted) is a potent chemoattractant and activator of a number of leukocytes, with a molecular mass of 8 kDa. Crystals of this protein have been grown from 100 mM sodium acetate buffer (pH 4.6) containing 200 mM magnesium acetate, w...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1994.1605

    authors: Shaw JP,Kryger G,Cleasby A,Wonacott A,Power CA,Proudfoot AE,Wells TN

    更新日期:1994-09-30 00:00:00

  • Efficient Catalysis of Protein Folding by GroEL/ES of the Obligate Chaperonin Substrate MetF.

    abstract::The cylindrical chaperonin GroEL and its cofactor GroES mediate ATP-dependent protein folding in Escherichia coli by transiently encapsulating non-native substrate in a nano-cage formed by the GroEL ring cavity and the lid-shaped GroES. Mechanistic studies of GroEL/ES with heterologous protein substrates suggested tha...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2020.02.031

    authors: Singh AK,Balchin D,Imamoglu R,Hayer-Hartl M,Hartl FU

    更新日期:2020-03-27 00:00:00

  • Molecular framework of steroid/retinoid discrimination in 17beta-hydroxysteroid dehydrogenase type 1 and photoreceptor-associated retinol dehydrogenase.

    abstract::Steroids and retinoids are signaling molecules that control a variety of physiological processes. 17beta-Hydroxysteroid dehydrogenase type 1 (17beta-HSD1) catalyzes the reduction of estrone to estradiol, supplying biologically active estrogen-regulating sex-specific differentiation. Photoreceptor-associated retinol de...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2010.04.002

    authors: Haller F,Moman E,Hartmann RW,Adamski J,Mindnich R

    更新日期:2010-06-04 00:00:00

  • Mechanochemistry of a viral DNA packaging motor.

    abstract::The pentameric ATPase motor gp16 packages double-stranded DNA into the bacteriophage phi29 virus capsid. On the basis of the results of single-molecule experimental studies, we propose a push and roll mechanism to explain how the packaging motor translocates the DNA in bursts of four 2.5 bp power strokes, while rotati...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2010.05.002

    authors: Yu J,Moffitt J,Hetherington CL,Bustamante C,Oster G

    更新日期:2010-07-09 00:00:00

  • Kinetic models for unfolding and refolding of ribonuclease T1 with substitution of cis-proline 39 by alanine.

    abstract::The replacement of cis proline 39 of ribonuclease T1 by an alanine residue leads to a decrease in stability by about 20 kJ/mol and to major changes in the folding kinetics that are not easily explained by the proline model for protein folding. In particular, a novel very slow reaction is observed in the refolding of t...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1006/jmbi.1993.1337

    authors: Mayr LM,Schmid FX

    更新日期:1993-06-05 00:00:00

  • Determinants of PB1 Domain Interactions in Auxin Response Factor ARF5 and Repressor IAA17.

    abstract::Auxin is a plant hormone that is central to plant growth and development from embryogenesis to senescence. Auxin signaling is mediated by auxin response transcription factors (ARFs) and Aux/IAA repressors that regulate the expression of a multitude of auxin response genes. ARF and Aux/IAA proteins assemble into homome...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2020.04.007

    authors: Kim Y,Park C,Cha S,Han M,Ryu KS,Suh JY

    更新日期:2020-06-26 00:00:00

  • Cryo-electron microscopy of the giant Mimivirus.

    abstract::Mimivirus is the largest known virus. Using cryo-electron microscopy, the virus was shown to be icosahedral, covered by long fibers, and appears to have at least two lipid membranes within its protein capsid. A unique vertex, presumably for attachment and infection of the host, can be seen for particles that have a su...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2005.08.060

    authors: Xiao C,Chipman PR,Battisti AJ,Bowman VD,Renesto P,Raoult D,Rossmann MG

    更新日期:2005-10-28 00:00:00

  • Stabilization of native protein fold by intein-mediated covalent cyclization.

    abstract::A mutant version of the N-terminal domain of Escherichia coli DnaB helicase was used as a model system to assess the stabilization against unfolding gained by covalent cyclization. Cyclization was achieved in vivo by formation of an amide bond between the N and C termini with the help of a split mini-intein. Linear an...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/j.jmb.2004.12.037

    authors: Williams NK,Liepinsh E,Watt SJ,Prosselkov P,Matthews JM,Attard P,Beck JL,Dixon NE,Otting G

    更新日期:2005-03-04 00:00:00

  • Detection of Escherichia coli ribosome binding at translation initiation sites in the absence of tRNA.

    abstract::Binary complexes between messenger RNA and E. coli ribosomes were examined. A ribosome-mRNA binary complex on T4 gene 32 mRNA withstood inhibition by antibodies against ribosomal protein S1. Anti-S1 blocks ternary complex formation, as measured by "extension inhibition" or "toeprinting" analysis, only when preincubate...

    journal_title:Journal of molecular biology

    pub_type: 杂志文章

    doi:10.1016/0022-2836(91)90876-8

    authors: Hartz D,McPheeters DS,Green L,Gold L

    更新日期:1991-03-05 00:00:00