Phosphorylation stabilizes the N-termini of alpha-helices.

Abstract:

:The role of phosphorylation in stabilizing the N-termini of alpha-helices is examined using computer simulations of model peptides. The models comprise either a phosphorylated or unphosphorylated serine at the helix N-terminus, followed by nine alanines. Monte Carlo/stochastic Dynamics simulations were performed on the model helices. The simulations revealed a distinct stabilization of the helical conformation at the N-terminus after phosphorylation. The stabilization was attributable to favorable electrostatic interactions between the phosphate and the helix backbone. However, direct helix capping by the phosphorylated sidechain was not observed. The results of the calculations are consistent with experimental evidence on the stabilization of helices by phosphates and other anions.

journal_name

Biopolymers

journal_title

Biopolymers

authors

Smart JL,McCammon JA

doi

10.1002/(SICI)1097-0282(199903)49:3<225::AID-BIP4>

subject

Has Abstract

pub_date

1999-03-01 00:00:00

pages

225-33

issue

3

eissn

0006-3525

issn

1097-0282

pii

10.1002/(SICI)1097-0282(199903)49:3<225::AID-BIP4>

journal_volume

49

pub_type

杂志文章
  • A molecular simulation picture of DNA hydration around A- and B-DNA.

    abstract::Recent results from molecular dynamics (MD) simulations on hydration of DNA with respect to conformation are reviewed and compared with experimental data. MD simulations of explicit solvent around DNA can now give a detailed model of DNA that not only matches well with the experimental data but provides additional ins...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/(SICI)1097-0282(1998)48:4<199::AID-BIP2>3.

    authors: Feig M,Pettitt BM

    更新日期:1998-01-01 00:00:00

  • Cell attachment and spreading activity of mixed laminin peptide-chitosan membranes.

    abstract::Laminins are a multifunctional molecule with numerous active sites that have been identified in short peptide sequences. Mixed peptide-conjugated chitosan membranes using laminin-derived active peptides have been previously demonstrated to be useful as a biomaterial for tissue engineering. In this study, two syndecan-...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22303

    authors: Otagiri D,Yamada Y,Hozumi K,Katagiri F,Kikkawa Y,Nomizu M

    更新日期:2013-11-01 00:00:00

  • Vibrational CD studies of interchain hydrogen-bonded tripodal peptides.

    abstract::The solution conformations of three trispeptides--L,L,L-1,3,5-C6H3[CH2NHCOCH(X)-NHBoc++ +]3, X = CH3 (Ala) or CH2CH(CH3)2 (Leu), and L,L,L-N(CH2CH2NHCOCH[CH2-CH(CH3)2]NHBoc)3--have been determined from their ir and vibrational CD (VCD) spectra in the NH stretching and carbonyl stretching regions in apolar solution. Th...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360320706

    authors: Paterlini MG,Freedman TB,Nafie LA,Tor Y,Shanzer A

    更新日期:1992-07-01 00:00:00

  • Depsipeptide analogues of elastin repeating sequences: synthesis.

    abstract::Depsipeptide analogues of peptide sequences can help in elucidating the role of specific hydrogen bonds in determining the conformation in peptides. The repeating pentapeptide and hexapeptide sequences of elastin have been suggested to contain a type II beta-turn with a 4----1 hydrogen bond. Depsipeptide analogues of ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360291212

    authors: Arad O,Goodman M

    更新日期:1990-10-01 00:00:00

  • Structural features of linear (alphaMe)Val-based peptides in solution by photophysical and theoretical conformational studies.

    abstract::In continuation of our studies on the determination of the structural features of functionalized peptides in solution by combining time-resolved fluorescence data and molecular mechanics results, the conformational features of a series of linear, L-(alphaMe)Val-based peptides have been investigated in methanol. These ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/1097-0282(2000)55:6<425::AID-BIP1018>3.0.C

    authors: Pispisa B,Mazzuca C,Palleschi A,Stella L,Venanzi M,Formaggio F,Polese A,Toniolo C

    更新日期:2000-01-01 00:00:00

  • Recent advances in DNA catalysis.

    abstract::Studies of catalytically active DNA sequences have expanded considerably since the first artificial deoxyribozyme was identified in 1994. Nevertheless, the field is still quite young, and advances in both fundamental understanding and practical applications of deoxyribozymes are still developing. Deoxyribozymes that e...

    journal_title:Biopolymers

    pub_type: 杂志文章,评审

    doi:10.1002/bip.20813

    authors: Höbartner C,Silverman SK

    更新日期:2007-12-05 00:00:00

  • Synthesis and characterization of polyamides containing unnatural amino acids.

    abstract::We describe the synthesis of several polyamides that retain the secondary structure of proteins and contain derivatizable side chains. The derivatizable side chain allows for further reaction of the polymer chain (e.g., chain cross-linking or addition of pendant groups). Polymers of alpha-amino acids containing a term...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360350509

    authors: Guinn RM,Margot AO,Taylor JR,Schumacher M,Clark DS,Blanch HW

    更新日期:1995-05-01 00:00:00

  • Intermolecular Overhauser effects in fluoroalcohol solutions of cyclo-alanylglycine.

    abstract::Interactions between the diketopiperazine cyclo-alanylglycine and four fluorinated alcohols in water-fluoroalcohol mixtures were examined by (1)H[(19)F] intermolecular nuclear Overhauser effects (NOE) experiments. The alcohols studied were trifluoroethanol, hexafluoroacetone trihydrate, 1,1,1,3,3,3-hexafluoroisopropan...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.10176

    authors: Strickler MA,Gerig JT

    更新日期:2002-08-15 00:00:00

  • Solution effects on the self-association of a water-soluble peptoid.

    abstract::A desire to replicate the structural and functional complexity of proteins with structured, sequence-specific oligomers motivates study of the structural features of water-soluble peptoids (N-substituted glycine oligomers). Understanding the molecular-level details of peptoid self-assembly in water is essential to adv...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.23248

    authors: Fuller AA,Huber J,Jimenez CJ,Dowell KM,Hough S,Ortega A,McComas KN,Kunkel J,Asuri P

    更新日期:2019-04-01 00:00:00

  • Inhibition of caspase-9 by stabilized peptides targeting the dimerization interface.

    abstract::Caspases comprise a family of dimeric cysteine proteases that control apoptotic programmed cell death and are therefore critical in both organismal development and disease. Specific inhibition of individual caspases has been repeatedly attempted, but has not yet been attained. Caspase-9 is an upstream or initiator cas...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22080

    authors: Huber KL,Ghosh S,Hardy JA

    更新日期:2012-01-01 00:00:00

  • Conformational heterogeneity of quinoxaline peptides in solution.

    abstract::The conformational heterogeneity of several quinoxaline antibiotics, a class of naturally occurring quinoxaline peptides with antitumor properties, and their synthetic analogues was investigated in polar and nonpolar solvents by high performance liquid chromatography (HPLC) with uv photodiode array detection, uv-absor...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360311404

    authors: Alfredson TV,Maki AH,Waring MJ

    更新日期:1991-12-01 00:00:00

  • Design and characterization of a model alpha beta peptide.

    abstract::CD and nmr spectroscopy were used to compare the conformational properties of two related peptides. One of the peptides, Model AB, was designed to adopt a helix-turn-extended strand (alpha beta) tertiary structure in water that might be stabilized by hydrophobic interactions between two leucine residues in the amino-t...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360360202

    authors: Butcher DJ,Bruch MD,Moe GR

    更新日期:1995-08-01 00:00:00

  • Aryl-aryl interactions in designed peptide folds: Spectroscopic characteristics and optimal placement for structure stabilization.

    abstract::We have extended our studies of Trp/Trp to other Aryl/Aryl through-space interactions that stabilize hairpins and other small polypeptide folds. Herein we detail the NMR and CD spectroscopic features of these types of interactions. NMR data remains the best diagnostic for characterizing the common T-shape orientation....

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22821

    authors: Anderson JM,Kier BL,Jurban B,Byrne A,Shu I,Eidenschink LA,Shcherbakov AA,Hudson M,Fesinmeyer RM,Andersen NH

    更新日期:2016-06-01 00:00:00

  • Binding of tacrine and 6-chlorotacrine by acetylcholinesterase.

    abstract::Multiconfiguration thermodynamic integration was used to determine the relative binding strength of tacrine and 6-chlorotacrine by Torpedo californica acetylcholinesterase. 6-Chlorotacrine appears to be bound stronger by 0.7+/-0.4 kcal/mol than unsubstituted tacrine when the active site triad residue His-440 is deprot...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/(sici)1097-0282(199601)38:1<109::aid-bip9>

    authors: Wlodek ST,Antosiewicz J,McCammon JA,Straatsma TP,Gilson MK,Briggs JM,Humblet C,Sussman JL

    更新日期:1996-01-01 00:00:00

  • Topological chirality of iron-sulfur proteins.

    abstract::An examination of x-ray structures of single-cluster [4Fe-4S] proteins in the Protein Data Bank has revealed that all redox proteins and the glutamine 5-phosphoribosyl-l-pyrophosphate amidotransferase from Bacillus subtilis have a topological configuration arbitrarily designated as D, whereas the DNA repair enzyme end...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/(SICI)1097-0282(19971005)42:4<411::AID-BIP

    authors: Liang C,Mislow K

    更新日期:1997-10-05 00:00:00

  • Synthesis and antinociceptive activity of peptides related to interleukin-1 beta 193-195 Lys-Pro-Thr.

    abstract::To obtain information about the structure-activity relationships of analgesic peptides, we modified the previously reported tripeptide, H-Lys-Pro-Thr-OH (C). The proline part in C was replaced with various analogues of unconventional amino acids [(3aS, 7aS)-octahydroindole-2-carboxylic acid (Oic), (S,S,S,)-2-azabicicl...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/(sici)1097-0282(1996)40:5<479::aid-bip5>3.

    authors: Caliendo G,Greco G,Grieco P,Perissutti E,Santagada V,Ialenti A,Maffia P,Albrizio S,Santini A

    更新日期:1996-01-01 00:00:00

  • Conformational study of endothelins and sarafotoxins with the cystine-stabilized helical motif by means of CD spectra.

    abstract::A series of CD measurements were carried out on members of peptides in the endothelin and sarafotoxin families. The helical structures taken by these peptides containing the helical motif with the sequences of Cys-X-X-X-Cys and Cys-X-Cys [Y. Kobayashi et al. (1991) Neurochemistry International Vol. 18, pp. 525-534] ar...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360320410

    authors: Tamaoki H,Kyogoku Y,Nakajima K,Sakakibara S,Hayashi M,Kobayashi Y

    更新日期:1992-04-01 00:00:00

  • Conformation-activity relationship of a novel peptide antibiotic: structural characterization of dermaseptin DS 01 in media that mimic the membrane environment.

    abstract::Dermaseptins, small polycationic peptides synthesized by amphibians, exert a lytic action on bacteria, protozoa, yeast, and filamentous fungi at micromolar concentrations, but unlike polylysines, show little hemolytic activity. Dermaseptins S are active only against bacteria and form aggregates at high peptide/lipid r...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.20244

    authors: Castiglione-Morelli MA,Cristinziano P,Pepe A,Temussi PA

    更新日期:2005-01-01 00:00:00

  • Chemical strategies to understand the language of ubiquitin signaling.

    abstract::Ubiquitin (Ub) is a small 76 amino acid long protein that is highly conserved in all eukaryotes studied to date. In humans, more than 600 ligases are involved in the reversible modification of specific lysine side-chain amines in substrate proteins by conjugation with the C-terminal carboxylate of Ub. Initially monoub...

    journal_title:Biopolymers

    pub_type: 杂志文章,评审

    doi:10.1002/bip.22253

    authors: Weller CE,Pilkerton ME,Chatterjee C

    更新日期:2014-02-01 00:00:00

  • CD and fluorescence studies of the human granulocyte-macrophage colony-stimulating factor and related peptide conformations in aqueous solution.

    abstract::The absorption, CD, and fluorescence emission spectra, and the fluorescence emission and depolarization lifetimes of the human granulocyte-macrophage colony-stimulating factor (hGM-CSF) and related peptides previously tested for their immunological activity, were measured in water at various pHs and temperatures to ob...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360360102

    authors: Casté L,Zandomeneghi M,Houben JL,Rovero P,Pegoraro S,Revoltella PR,Brochon JC

    更新日期:1995-07-01 00:00:00

  • The legacies of Langmuir, Ising, and Pauling: ligand binding and the helix-coil transition.

    abstract::Multiple, independent sites or domains behave, on chemical change, in a manner predicted by Langmuir. Distortions of this behavior have been attributed to interactions between the domains, which vary with the progress of the changes occurring at the sites or domains. The two main models for nearest neighbor interactio...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/(SICI)1097-0282(199905)49:6<425::AID-BIP1>

    authors: Saroff HA,Kiefer JE

    更新日期:1999-05-01 00:00:00

  • FTIR study on heat-induced and pressure-assisted cold-induced changes in structure of bovine alpha-lactalbumin: stabilizing role of calcium ion.

    abstract::The second derivative FTIR study of heat-induced and pressure-assisted cold-induced changes in the secondary structure of bovine alpha-lactalbumin was carried out for native holoprotein and calcium ion depleted apoprotein. The secondary structure and compactness of alpha-lactalbumin were examined in a temperature rang...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/1097-0282(2001)62:1<29::AID-BIP50>3.0.CO;2

    authors: Dzwolak W,Kato M,Shimizu A,Taniguchi Y

    更新日期:2001-01-01 00:00:00

  • Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation.

    abstract::Fe(III)-Mimochrome VI (MC6) is a recently reported artificial heme-peptide conjugate system with a high peroxidase-like activity. By design, its structure features a five-coordinated Fe(III)-deuteroporphyrin active site, embedded in a compact α-helix-heme-α-helix "sandwich" motif. Up to now, no detailed MC6 structural...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.23225

    authors: Perrella F,Raucci U,Chiariello MG,Chino M,Maglio O,Lombardi A,Rega N

    更新日期:2018-08-01 00:00:00

  • Biasing a Monte Carlo chain growth method with Ramachandran's plot: application to twenty-L-alanine.

    abstract::In this paper, we explore the possibility of using experimental observations in the Monte Carlo chain growth method that we have previously developed. In this method, the macromolecule (peptide, protein, nuclei acid, etc.) is grown atom-by-atom (or residue-by-residue, etc.) and partial chains are replicated according ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.360331210

    authors: Bascle J,Garel T,Orland H,Velikson B

    更新日期:1993-12-01 00:00:00

  • Structural behavior of nanometric carbohydrate films transduced by a resonant technique.

    abstract::New optical nanoresonance effects enabled us to study the effect of ions on nanometric carbohydrate thin layers on chips. Immobilization was done via spin coating of the derivatized carbohydrate polymer at a metallized chip surface forming ultrathin films (about 50-300 nm thick) followed by photochemical cross-linking...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.10371

    authors: Palkovits R,Mayer C,Bauer G,Winkler H,Pittner F,Schalkhammer T

    更新日期:2003-07-01 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

  • 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

  • Prediction of the binding mode between GSK3β and a peptide derived from GSKIP using molecular dynamics simulation.

    abstract::GSK3β plays an important role in many physiological functions; dysregulated GSK3β is involved in human diseases such as diabetes, cancer, and Alzheimer's disease. This study uses MD simulations to determine the interaction between GSK3β and a peptide derived from GSKIP, a novel GSK3β interacting protein. Results show ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.21603

    authors: Tang XN,Lo CW,Chuang YC,Chen CT,Sun YC,Hong YR,Yang CN

    更新日期:2011-07-01 00:00:00

  • A dipeptide-based superhydrogel: Removal of toxic dyes and heavy metal ions from waste water.

    abstract::A short peptide-based molecule has been found to form a strong hydrogel at phosphate buffer solution of pH 7.46. The hydrogel has been characterized thoroughly using various techniques including field emission scanning electron microscopy (FE-SEM), wide angle powder X-ray diffraction (PXRD), and rheological analysis. ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.22915

    authors: Nandi N,Baral A,Basu K,Roy S,Banerjee A

    更新日期:2017-01-01 00:00:00

  • Importance of the spatial display of charged residues in heparin-peptide interactions.

    abstract::Many studies have examined consensus sequences required for protein-glycosaminoglycan interactions. Through the synthesis of helical heparin binding peptides, this study probes the relationship between spatial arrangement of positive charge and heparin binding affinity. Peptides with a linear distribution of positive ...

    journal_title:Biopolymers

    pub_type: 杂志文章

    doi:10.1002/bip.21339

    authors: Rullo A,Nitz M

    更新日期:2010-03-01 00:00:00