Theory for the folding and stability of globular proteins.


:Using lattice statistical mechanics, we develop theory to account for the folding of a heteropolymer molecule such as a protein to the globular and soluble state. Folding is assumed to be driven by the association of solvophobic monomers to avoid solvent and opposed by the chain configurational entropy. Theory predicts a phase transition as a function of temperature or solvent character. Molecules that are too short or too long or that have too few solvophobic residues are predicted not to fold. Globular molecules should have a largely solvophobic core, but there is an entropic tendency for some residues to be "out of place", particularly in small molecules. For long chains, molecules comprised of globular domains are predicted to be thermodynamically more stable than spherical molecules. The number of accessible conformations in the globular state is calculated to be an exceedingly small fraction of the number available to the random coil. Previous estimates of this number, which have motivated kinetic theories of folding, err by many tens of orders of magnitude.






Dill KA




Has Abstract


1985-03-12 00:00:00












  • Diol lipids of rat liver. Quantitation and structural characteristics of neutral lipids and phospholipids derived from ethanediol, propanediols, and butanediols.

    abstract::Specific enzymatic and chemical degradation of neutral lipid and phospholipid fractions from rat liver revealed the presence of novel types of lipid metabolites bearing a short-chain diol backbone. Diol-derived lecithin and cephalin analogs were readily cleaved by phospholipase C (EC from Bacillus cereus, alt...


    pub_type: 杂志文章


    authors: Baumann WJ,Schupp E,Lin JT

    更新日期:1975-02-25 00:00:00

  • Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase.

    abstract::Type II polyketides are a class of natural products that include pharmaceutically important aromatic compounds such as the antibiotic tetracycline and antitumor compound doxorubicin. The type II polyketide synthase (PKS) is a complex consisting of 5-10 standalone domains homologous to fatty acid synthase (FAS). Polyke...


    pub_type: 杂志文章


    authors: Korman TP,Tan YH,Wong J,Luo R,Tsai SC

    更新日期:2008-02-19 00:00:00

  • Bilayer interactions of ether- and ester-linked phospholipids: dihexadecyl- and dipalmitoylphosphatidylcholines.

    abstract::Mixed phospholipid systems of ether-linked 1,2-dihexadecylphosphatidylcholine (DHPC) and ester-linked 1,2-dipalmitoylphosphatidylcholine (DPPC) have been studied by differential scanning calorimetry and X-ray diffraction. At maximum hydration (60 wt % water), DHPC shows three reversible transitions: a main (chain melt...


    pub_type: 杂志文章


    authors: Kim JT,Mattai J,Shipley GG

    更新日期:1987-10-20 00:00:00

  • Structural insights into the two sequential folding transition states of the PB1 domain of NBR1 from Φ value analysis and biased molecular dynamics simulations.

    abstract::The PB1 domain of NBR1 folds via a single pathway mechanism involving two sequential energy barriers separated by a high-energy intermediate. The structural ensemble representing each of the two transition states (TS1 and TS2) has been calculated using experimental Φ values and biased molecular dynamics simulations. B...


    pub_type: 杂志文章


    authors: Chen P,Evans CL,Hirst JD,Searle MS

    更新日期:2011-01-11 00:00:00

  • Spin labeling analysis of structure and dynamics of the Na(+)/proline transporter of Escherichia coli.

    abstract::With respect to the functional importance attributed to the N-terminal part of the Na(+)/proline transporter of Escherichia coli (PutP), we report here on the structural arrangement and functional dynamics of transmembrane domains (TMs) II and III and the adjoining loop regions. Information on membrane topography was ...


    pub_type: 杂志文章


    authors: Wegener C,Tebbe S,Steinhoff HJ,Jung H

    更新日期:2000-04-25 00:00:00

  • The quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis exhibits a leaving group thio effect.

    abstract::Lactone-hydrolyzing enzymes derived from some Bacillus species are capable of disrupting quorum sensing in bacteria that use N-acyl-l-homoserine lactones (AHLs) as intercellular signaling molecules. Despite the promise of these quorum-quenching enzymes as therapeutic and anti-biofouling agents, the ring opening mechan...


    pub_type: 杂志文章


    authors: Momb J,Thomas PW,Breece RM,Tierney DL,Fast W

    更新日期:2006-11-07 00:00:00

  • Two promoters in the bovine adrenodoxin gene and the role of associated, unique cAMP-responsive sequences.

    abstract::The bovine adrenodoxin gene gives rise to two species of mRNA differing only at their 5'-ends. The synthesis of these two types of mRNA in bovine adrenal cortical cells is regulated transcriptionally in part by ACTH via the action of cAMP. Examination of the 5'-end of the adrenodoxin gene revealed that each mRNA conta...


    pub_type: 杂志文章


    authors: Chen JY,Waterman MR

    更新日期:1992-03-03 00:00:00

  • High-resolution crystal structures of the lectin-like xylan binding domain from Streptomyces lividans xylanase 10A with bound substrates reveal a novel mode of xylan binding.

    abstract::Carbohydrate-binding module (CBM) family 13 includes the "R-type" or "ricin superfamily" beta-trefoil lectins. The C-terminal CBM, CBM13, of xylanase 10A from Streptomyces lividans is a family 13 CBM that is not only structurally similar to the "R-type" lectins but also somewhat functionally similar. The primary funct...


    pub_type: 杂志文章


    authors: Notenboom V,Boraston AB,Williams SJ,Kilburn DG,Rose DR

    更新日期:2002-04-02 00:00:00

  • Biotin synthase is a pyridoxal phosphate-dependent cysteine desulfurase.

    abstract::Biotin synthase (BioB) is an iron-sulfur dimeric enzyme which catalyzes the last step in biotin synthesis. The reaction consists of the introduction of a sulfur atom into dethiobiotin. It is shown here that BioB displays a significant cysteine desulfurase activity, providing it with the ability to mobilize sulfur from...


    pub_type: 杂志文章


    authors: Ollagnier-De-Choudens S,Mulliez E,Hewitson KS,Fontecave M

    更新日期:2002-07-23 00:00:00

  • A single amino acid substitution in the human and a bacterial hypoxanthine phosphoribosyltransferase modulates specificity for the binding of guanine.

    abstract::Early studies involving purine salvage in Salmonella typhimurium resulted in the isolation and identification of a mutant strain possessing a genetically modified hypoxanthine phosphoribosyl-transferase (HPRT) with enhanced substrate specificity for guanine [Benson, C. E., and Gots, J. S. (1975) J. Bacteriol. 121, 77-...


    pub_type: 杂志文章


    authors: Lee CC,Craig SP 3rd,Eakin AE

    更新日期:1998-03-10 00:00:00

  • Fluorescence investigation of the sex steroid binding protein of rabbit serum: steroid binding and subunit dissociation.

    abstract::The relationship between steroid binding and protein subunit interactions of rabbit sex steroid binding protein (rSBP) has been studied by steady-state and time-resolved fluorescence spectroscopy. The high-affinity (Ka approximately 10(8) M-1 at 4 degrees C), fluorescent estrogen d-1,3,5(10),6,8-estrapentaene-3,17 bet...


    pub_type: 杂志文章


    authors: Casali E,Petra PH,Ross JB

    更新日期:1990-10-09 00:00:00

  • Alkyl isocyanates as active site-specific reagents for serine proteases. Location of alkyl binding site in chymotrypsin by X-ray diffraction.

    abstract::The structure of octylcarbamoyl-alpha-chymotrypsin to a resolution of 3.0 A is described. The n-octyl side chain of the active site directed irreversible inactivator octyl isocyanate is bound exclusively in the hydrophobic substrate binding pocket. The n-octyl isocyanate forms a planar urethane bond with the Ser-195 O...


    pub_type: 杂志文章


    authors: Brown WE

    更新日期:1975-11-18 00:00:00

  • Structural analysis of the PsbQ protein of photosystem II by Fourier transform infrared and circular dichroic spectroscopy and by bioinformatic methods.

    abstract::The structure of PsbQ, one of the three main extrinsic proteins associated with the oxygen-evolving complex (OEC) of higher plants and green algae, is examined by Fourier transform infrared (FTIR) and circular dichroic (CD) spectroscopy and by computational structural prediction methods. This protein, together with tw...


    pub_type: 杂志文章


    authors: Balsera M,Arellano JB,Gutiérrez JR,Heredia P,Revuelta JL,De Las Rivas J

    更新日期:2003-02-04 00:00:00

  • Fluorescence spectroscopic studies of pressure effects on Na+,K(+)-ATPase reconstituted into phospholipid bilayers and model raft mixtures.

    abstract::To contribute to the understanding of membrane protein function upon application of pressure as relevant for understanding, for example, the physiology of deep sea organisms or for baroenzymological biotechnical processes, we investigated the influence of hydrostatic pressure on the activity of Na+,K+-ATPase enriched ...


    pub_type: 杂志文章


    authors: Powalska E,Janosch S,Kinne-Saffran E,Kinne RK,Fontes CF,Mignaco JA,Winter R

    更新日期:2007-02-13 00:00:00

  • Treponema denticola PurE Is a bacterial AIR carboxylase.

    abstract::De novo purine biosynthesis proceeds by two divergent paths. In bacteria, yeasts, and plants, 5-aminoimidazole ribonucleotide (AIR) is converted to 4-carboxy-AIR (CAIR) by two enzymes: N(5)-carboxy-AIR (N(5)-CAIR) synthetase (PurK) and N(5)-CAIR mutase (class I PurE). In animals, the conversion of AIR to CAIR requires...


    pub_type: 杂志文章


    authors: Tranchimand S,Starks CM,Mathews II,Hockings SC,Kappock TJ

    更新日期:2011-05-31 00:00:00

  • Exonuclease-polymerase active site partitioning of primer-template DNA strands and equilibrium Mg2+ binding properties of bacteriophage T4 DNA polymerase.

    abstract::The binding of bacteriophage T4 DNA polymerase (T4 pol) to primer-template DNA with 2-aminopurine (2AP) located at the primer terminus results in the formation of a hyperfluorescent 2AP state. Changes in this hyperfluorescent state were utilized to investigate the fractional concentration of primer-templates bound at ...


    pub_type: 杂志文章


    authors: Beechem JM,Otto MR,Bloom LB,Eritja R,Reha-Krantz LJ,Goodman MF

    更新日期:1998-07-14 00:00:00

  • Involvement of serine 96 in the catalytic mechanism of ferredoxin-NADP+ reductase: structure--function relationship as studied by site-directed mutagenesis and X-ray crystallography.

    abstract::The crystal structure of ferredoxin-NADP+ reductase (FNR) suggests that Ser96 is directly involved in hydride transfer between the isoalloxazine moiety of FAD and the nicotinamide ring of NADP(H). To probe its role, Ser96 has been mutated to valine (S96V) and glycine (S96G). These mutations primarily affected the inte...


    pub_type: 杂志文章


    authors: Aliverti A,Bruns CM,Pandini VE,Karplus PA,Vanoni MA,Curti B,Zanetti G

    更新日期:1995-07-04 00:00:00

  • Reversible photocontrol of DNA binding by a designed GCN4-bZIP protein.

    abstract::Synthetic photocontrolled proteins could be powerful tools for probing cellular chemistry. Several previous attempts to produce such systems by incorporating photoisomerizable chromophores into biomolecules have led to photocontrol but with incomplete reversibility, where the chromophore becomes trapped in one photois...


    pub_type: 杂志文章


    authors: Woolley GA,Jaikaran AS,Berezovski M,Calarco JP,Krylov SN,Smart OS,Kumita JR

    更新日期:2006-05-16 00:00:00

  • Luminal pH regulated calcium release kinetics in sarcoplasmic reticulum vesicles.

    abstract::Calcium binding to triads isolated from rabbit skeletal muscle followed a single hyperbolic function in the pH range 5.5-8.0. Maximal binding was obtained at pH 8.0; decreasing the pH decreased the binding capacity and, at pH < or = 6.0, increased Kd 2-fold. These results indicate that lowering the pH diminished calci...


    pub_type: 杂志文章


    authors: Donoso P,Beltrán M,Hidalgo C

    更新日期:1996-10-15 00:00:00

  • Influence of N-cap mutations on the structure and stability of Escherichia coli HPr.

    abstract::This paper describes the effect of N-capping substitutions on the structure and stability of histidine-containing protein (HPr). We have used NMR spectroscopy and conformational stability studies to quantify changes in local and global free energy due to mutagenesis at Ser46, the N-cap for helix B in HPr. Previous NMR...


    pub_type: 杂志文章


    authors: Thapar R,Nicholson EM,Rajagopal P,Waygood EB,Scholtz JM,Klevit RE

    更新日期:1996-09-03 00:00:00

  • Calorimetric examination of high-affinity Src SH2 domain-tyrosyl phosphopeptide binding: dissection of the phosphopeptide sequence specificity and coupling energetics.

    abstract::SH2 domains are protein modules which interact with specific tyrosine phosphorylated sequences in target proteins. The SH2 domain of the Src kinase binds with high affinity to a tyrosine phosphorylated peptide containing the amino acids Glu, Glu, and Ile (EEI) at the positions +1, +2, and +3 C-terminal to the phosphot...


    pub_type: 杂志文章


    authors: Bradshaw JM,Waksman G

    更新日期:1999-04-20 00:00:00

  • Comparison of the effects of tropomyosin and troponin-tropomyosin on the binding of myosin subfragment 1 to actin.

    abstract::The effect of tropomyosin alone on the binding of myosin subfragment 1 (S-1) to actin was compared to that of troponin-tropomyosin, with and without Ca2+. Over a range of ionic strength and with different ligands (adenyl-5'-yl imidodiphosphate, pyrophosphate, and adenosine 5'-diphosphate), tropomyosin confers slight c...


    pub_type: 杂志文章


    authors: Williams DL Jr,Greene LE

    更新日期:1983-05-24 00:00:00

  • Hydrolysis of tri- and monoacylglycerol by lipoprotein lipase: evidence for a common active site.

    abstract::The relationship between triacylglycerol and monoacylglycerol hydrolyzing activities of purified rat heart lipoprotein lipase was studied using emulsified trioleoylglycerol and micellar or albumin-bound monooleoylglycerol as substrates. The maximal reaction rates obtained with the two substrates were similar (650 and ...


    pub_type: 杂志文章


    authors: Twu JS,Nilsson-Ehle P,Schotz MC

    更新日期:1976-05-04 00:00:00

  • Pyridoxal 5'-phosphate binding site of pig heart alanine aminotransferase.

    abstract::After borohydride reduction, carboxymethylation, and tryptic digestion of the holoenzyme of pig heart alanine aminotransferase, a single icosapeptide containing the N6-(phosphopyridoxyl)lysine residue was isolated by a combination of gel filtration and ion-exchange chromatogrpahy. Its primary structure was determined ...


    pub_type: 杂志文章


    authors: Tanase S,Kojima H,Morino Y

    更新日期:1979-07-10 00:00:00

  • Catalytic center of cyclodextrin glycosyltransferase derived from X-ray structure analysis combined with site-directed mutagenesis.

    abstract::An X-ray structure analysis of a crystal of mutant Asp229----Ala of cyclodextrin glycosyltransferase from Bacillus circulans (Ec that had been shortly exposed to beta-cyclodextrin showed density corresponding to a maltose bound at the catalytic center. The crystal structure was refined to an R-factor of 18.7...


    pub_type: 杂志文章


    authors: Klein C,Hollender J,Bender H,Schulz GE

    更新日期:1992-09-22 00:00:00

  • Type II Binders Targeting the "GLR-Out" Conformation of the Pseudokinase STRADα.

    abstract::Pseudokinases play important roles in signal transduction and cellular processes similar to those of catalytically competent kinases. However, pseudokinase pharmacological tractability and conformational space accessibility are poorly understood. Pseudokinases have only recently been suggested to adopt "inactive" conf...


    pub_type: 杂志文章


    authors: Smith RHB,Khan ZM,Ung PM,Scopton AP,Silber L,Mack SM,Real AM,Schlessinger A,Dar AC

    更新日期:2021-01-13 00:00:00

  • Zn(2+)-dependent misfolding of the p53 DNA binding domain.

    abstract::The DNA binding domain (DBD) of p53 folds by a complex mechanism that involves parallel pathways and multiple intermediates, both on- and off-pathway. This heterogeneity renders DBD particularly susceptible to misfolding and aggregation. The origins of parallel folding mechanisms are not well understood. DBD folding h...


    pub_type: 杂志文章


    authors: Butler JS,Loh SN

    更新日期:2007-03-13 00:00:00

  • Characterization of metal ion activation and inhibition of CTP synthetase.

    abstract::A reinvestigation of the metal ion activation and specificity of CTP synthetase was begun in order to separate effects due to binding of free metal ions and binding of nucleotide-complexed ions. Apo-CTP synthetase was prepared by dialysis against 5 mM EDTA. Analysis of apo-enzyme by atomic absorption spectroscopy reve...


    pub_type: 杂志文章


    authors: Robertson JG,Villafranca JJ

    更新日期:1993-04-13 00:00:00

  • Nuclear overhauser studies of CCGGAp, ACCGGp, and ACCGGUp.

    abstract::Nuclear Overhauser effect (NOE) measurements are reported for the nonexchangeable base and ribose 1' proton resonances of CCGGAp, ACCGGp, and ACCGGUp. The results permit assignment of these resonances to particular nucleotides in the sequences. The NOE data rule out conformations containing syn glycosidic linkages and...


    pub_type: 杂志文章


    authors: Petersheim M,Turner DH

    更新日期:1983-01-18 00:00:00

  • Cellular and enzymic synthesis of sphingomyelin.

    abstract::The synthesis of sphingomyelin was studied in baby hamster kidney cells and in subcellular fractions derived from rat liver. During pulse-chase experiments with [3H]choline in tissue culture cells, the specific radioactivity of sphingomyelin continued to increase after the specific activities of phosphocholine and cyt...


    pub_type: 杂志文章


    authors: Voelker DR,Kennedy EP

    更新日期:1982-05-25 00:00:00