Abstract:
:Adrenocorticotropin (ACTH) (1-10), an adrenocorticotropin hormone fragment, has been studied by molecular dynamics (MD) simulation in an NPT ensemble in an explicit dodecylphosphocholine (DPC) micelle. Two starting configurations of the peptide/micelle system, corresponding to the insertion and surface-binding modes, were used. A common equilibrated configuration, in which the peptide lies parallel to the micellar surface, was reached from both simulations. In the initial part of the simulations, distance restraints derived from NMR nuclear Overhauser enhancements were incorporated before the peptide reached an equilibrium configuration with respect to the micelle. Analyses of the trajectories from the subsequent free (unrestrained) MD simulation showed that ACTH (1-10) does not conform strictly to a helical structure. The loss of the helical structure is due to decreased intramolecular hydrogen bonding accompanied by an increase of hydrogen bonding between the amide protons of the peptide and the micellar head groups. However, the extent of the latter interaction is less pronounced than in the negatively charged SDS micelle. The final structure enhances the amphipathic nature of the peptide, facilitating better interactions at the water-hydrophobic interface. The primary hydrophobic interactions with the micelle came from the side chains of Met4, Phe7, and Trp9. All peptide bonds were either hydrated or were involved in intramolecular hydrogen bonding. The interactions with the DPC micelle, the conformation of the bound peptide, and the dynamics of the peptide, as revealed by the time correlation functions of the N-H bonds, were compared with those of the ACTH (1-10)/SDS system studied previously by MD simulations.
journal_name
Biopolymersjournal_title
Biopolymersauthors
Gao X,Wong TCdoi
10.1002/1097-0282(200106)58:7<643::AID-BIP1037>3.0subject
Has Abstractpub_date
2001-06-01 00:00:00pages
643-59issue
7eissn
0006-3525issn
1097-0282pii
10.1002/1097-0282(200106)58:7<643::AID-BIP1037>3.0journal_volume
58pub_type
杂志文章相关文献
BIOPOLYMERS文献大全abstract::We analyzed the CD and uv absorption spectra of 5S RNA from Escherichia coli using the method developed in the preceding paper. The analysis of spectra of 5S RNA at 20 degrees C in 0.1M NaClO4, 2.5 mM Na+ (phosphate), pH 7.0, and 0.5 mM MgSO4 gave 7 +/- 3.6 A.U base pairs, 25 +/- 3.6 G.C base pairs, and 7.5 +/- 3.6 G....
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360310404
更新日期:1991-03-01 00:00:00
abstract::The total synthesis of a peptide segment corresponding to the DNA-binding segment of Sp1 (positions 532-623) using a native chemical ligation approach is described. The folding of the synthetic segment in the presence of Zn(II) gave a zinc-coordinated protein. The dissociation constant (K(D)) for the DNA binding of th...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10562
更新日期:2004-01-01 00:00:00
abstract::Synthetic RNA poly[r(A-T)] has been synthesized and its CD spectral properties compared to those of poly[r(A-U)], poly[d(A-T)], and poly[d(A-U)] in various salt and ethanolic solutions. The CD spectra of poly[r(A-T)] in an aqueous buffer and of poly[d(A-T)] in 70.8% v/v ethanol are very similar, suggesting that they b...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360290210
更新日期:1990-02-05 00:00:00
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
更新日期:1999-10-05 00:00:00
abstract::The visual pigment rhodopsin has been extensively studied for the kinetics of its photointermediates by various spectroscopic methods. Unlike such archaeal retinal proteins as bacteriorhodopsin, visual rhodopsin does not thermally recover its dark state after photoexcitation, which precludes repeated excitation of a s...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.20540
更新日期:2006-10-05 00:00:00
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
更新日期:2003-01-01 00:00:00
abstract::Software to automate the process of extracting molecular interactions from three-dimensional (3D) structures has been developed that records these as Biomolecular Interaction Network Database (BIND) pairwise interaction records. Full annotation of BIND records is provided through a database processing tool called MMDB...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/1097-0282(2001/2002)61:2<111::AID-BIP10143
更新日期:2001-01-01 00:00:00
abstract::Examining solute-induced changes in protein conformational equilibria is a long-standing method for probing the role of water in maintaining protein stability. Interpreting the molecular details governing the solute-induced effects, however, remains controversial. We present experimental and theoretical data for osmol...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(SICI)1097-0282(20000405)53:4<293::AID-BIP
更新日期:2000-04-05 00:00:00
abstract::Antagonism of the calcitonin gene-related peptide (CGRP) receptor may be a useful approach for migraine treatment. Selective PEGylated peptide antagonists to the CGRP receptor are described, derived from CGRP(8-37) with polymer derivatization at an engineered lysine-25 residue. Potent PEGylated peptides with improved ...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.22270
更新日期:2013-07-01 00:00:00
abstract::Aqueous solutions of DNA fragments with a contour length (500 A) near the persistence length at DNA concentrations ranging from 10 to 290 mg/mL solvent and a constant supporting electrolyte concentration of 0.01 M (predominantly NaCl) were examined by 23Na-nmr spectroscopy at temperatures of 20, 40, and 60 degrees C. ...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360300715
更新日期:1990-01-01 00:00:00
abstract::Recent studies on the conformational preferences of the Dphig (C(alpha,alpha)-diphenylglycine) residue showed that this C(alpha,alpha)-disubstituted glycine has a structural versatility. In fact, depending on the nature of the following or preceding residue, Dphig can assume either folded or extended conformations. We...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(SICI)1097-0282(200002)53:2<161::AID-BIP6>
更新日期:2000-02-01 00:00:00
abstract::This paper is a personal recollection of some of the events and research that surrounded the amino acid sequence determination of the hypothalamic releasing factor, TRF (now known as TRH), by mass spectrometry (MS), and the development of reverse phase high performance liquid chromatography (RP-HPLC) MS and tandem MS ...
journal_title:Biopolymers
pub_type: 杂志文章,评审
doi:10.1002/(sici)1097-0282(1996)40:3<257::aid-bip1>3.
更新日期:1996-01-01 00:00:00
abstract::Several new biocompatible and degradable materials were prepared by chemical modification of sodium hyaluronate. The method of activation of hyaluronate by cyanogen bromide was used and subsequent reaction with nucleophile led to the formation of carbamate. This modification of hydroxyl groups of glycosaminoglycans pr...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.20461
更新日期:2006-05-01 00:00:00
abstract::Human hair as alpha-keratin fiber exhibits a complex morphology, which for the context of this investigation is considered as a filament/matrix-composite, comprising the intermediate filaments (IF) and a variety of amorphous protein components as matrix. Differential scanning calorimetry (DSC) under aqueous conditions...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.20599
更新日期:2006-12-15 00:00:00
abstract::The fusion of two stable bilayers likely proceeds through intermediates in which the membrane acquires curvature. The insertion of peptides into the membrane will affect its curvature tendency. Studies with a number of small viral fusion peptides indicate that these peptides promote negative curvature at low concentra...
journal_title:Biopolymers
pub_type: 杂志文章,评审
doi:10.1002/1097-0282(2000)55:5<358::AID-BIP1009>3.0.C
更新日期:2000-01-01 00:00:00
abstract::The ability of an exopolymer of glycoproteic character (GP) excreted by a new gram-negative species Pseudoalteromonas antarctica NF(3), to coat phosphatidylcholine (PC) liposomes and to protect these bilayers against the action of the nonionic surfactant dodecyl maltoside was investigated. Transmission electron micros...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(SICI)1097-0282(199911)50:6<579::AID-BIP2>
更新日期:1999-11-01 00:00:00
abstract::Among the most exciting functional features of G-protein coupled receptors (GPCRs) that are coming into focus lately are those relating to the role and structural characteristics of their oligomerization (mostly homo- and heterodimers). The structural underpinnings of these novel functional insights are still not clea...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10311
更新日期:2002-01-01 00:00:00
abstract::In this study a novel general approach is presented that allows for a straightforward design of receptor binding assays. This principle of a receptor binding assay is applied to the estrogen receptor, which is important in the management of breast cancer and for the estimation of the estrogenic potency of chemicals in...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10402
更新日期:2003-01-01 00:00:00
abstract::The aim of this study was to develop a nondestructive method to quantitate relative amounts of n-3 and n-6 polyunsaturated fatty acid (PUFA) species in vegetable oils and oil seeds using Fourier transform IR spectroscopy (FTIR). The alkene Cbond;H stretching vibrations of unsaturated fatty acids in oils showed IR abso...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10505
更新日期:2003-12-01 00:00:00
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
更新日期:2009-07-01 00:00:00
abstract::Synthetic model membrane-interactive peptides--both of natural and designed sequence--have become convenient and systematic tools for determination of how the membrane-spanning segments within integral membrane proteins confer protein structure and biology. Conformational studies on these peptides demonstrate that the...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360370503
更新日期:1995-01-01 00:00:00
abstract::Over the past decade a large number of studies have focused attention on the role of nucleosomes as negative and positive regulators of specific nuclear functions. Due to the lack of an analytical method to determine the higher order conformation of the nucleosomal arrays that encompass specific genetic loci (e.g., pr...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10322
更新日期:2003-04-01 00:00:00
abstract::A natural rubber was identified and characterized for the first time in the latex of the perennial Mediterranean shrub Euphorbia characias. Four different methods, i.e., acetone, acetic acid, trichloroacetic acid, and Triton® X-100, followed by successive treatments with cyclohexane/ethanol, were employed to extract t...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.22044
更新日期:2012-08-01 00:00:00
abstract::An increasing number of RNAs are being discovered that perform their functions by undergoing large changes in conformation in response to a variety of cellular signals, including recognition of proteins and small molecular targets, changes in temperature, and RNA synthesis itself. The measurement of NMR residual dipol...
journal_title:Biopolymers
pub_type: 杂志文章,评审
doi:10.1002/bip.20765
更新日期:2007-08-05 00:00:00
abstract::Partially acetylated, high molecular weight glucuronans were produced by a Sinorhizobium meliloti mutant strain. Two native glucuronan samples with various degrees of acetylation were sonicated to obtain lower molecular weight samples and with low viscosity suitable for chemical modification and (13)C NMR experiments....
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.10134
更新日期:2002-06-01 00:00:00
abstract::While end capping in alpha-helices is well understood, the concept of capping a beta-hairpin is a relatively recent development; to date, favorable Coulombic interactions are the only example of sidechains at the termini influencing the overall stability of a beta-hairpin. While cross-strand hydrophobic residues gener...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.21177
更新日期:2009-07-01 00:00:00
abstract::Photon correlation spectroscopy has been used to study the translational (D0) and internal dynamics of monodisperse linear and polydisperse superhelical plasmid-DNAs. Scattering vector dependent correlation functions were measured and analyzed with the inverse Laplace transform CONTIN written by S. Provencher. For sca...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360310702
更新日期:1991-06-01 00:00:00
abstract::To investigate the mechanism leading to the reduction in tensile strength of permanent waved human hair, the structure of cross-sections at various depths of permanent waved white human hair was directly analyzed without isolating the cuticle and cortex, using Raman spectroscopy. The beta-sheet and/or random coil cont...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.20646
更新日期:2007-02-15 00:00:00
abstract::We report on the conformation of a tetrasaccharide fragment in the repeating subunit of the cell wall polysaccharide of Streptococcus mitis J22, a receptor for the lectin of Actinomyces viscosus T14V in a bacterial coaggregation that is important in the ecological interactions of oral bacteria. Although there is consi...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/(SICI)1097-0282(199603)38:3%3C339::AID-BIP
更新日期:1996-03-01 00:00:00
abstract::We have studied the use of a new Monte Carlo (MC) chain generation algorithm, introduced by T. Garel and H. Orland [(1990) Journal of Physics A, Vol. 23, pp. L621-L626], for examining the thermodynamics of protein folding transitions and for generating candidate C(alpha) backbone structures as starting points for a de...
journal_title:Biopolymers
pub_type: 杂志文章
doi:10.1002/bip.360360504
更新日期:1995-11-01 00:00:00