Redor in IS1S2 systems.

Abstract:

:An approach to the determination of the 2-(13)C' chemical shift (CS) tensor orientation in pyrimidine bases via heteronuclear MAS NMR spectroscopy is presented. Considering a dipolar coupled spin 1/2 network of the type S1-I-S2 consisting of directly bonded heteronuclear spins, we have carried out numerical simulations to assess the sensitivity of I-S REDOR spinning sidebands to the Euler angles defining the orientation of the I-S1 and I-S2 dipolar vectors in the I spin CS tensor principal axes system. Our investigations clearly demonstrate the potential of I-S REDOR studies in IS1S2 systems for obtaining with high reliability and accuracy the I spin chemical shift tensor orientation in the molecular frame spanned by the two internuclear vectors I-S1 and I-S2. The significant contribution to the observed REDOR sideband intensities from anti-phase operator terms which are present at the start of the data acquisition is illustrated. The procedure for the recording and analysis of the I-S REDOR spectra in IS1S2 systems is presented and the measurement of the 2-(13)C' CS tensor orientation in a polycrystalline sample of [1,3-(15)N2, 2-(13)C] uracil, which is one of the four bases in RNA, is experimentally demonstrated.

journal_name

J Biomol NMR

authors

Leppert J,Heise B,Ramachandran R

doi

10.1023/a:1008318530946

subject

Has Abstract

pub_date

2000-10-01 00:00:00

pages

153-64

issue

2

eissn

0925-2738

issn

1573-5001

journal_volume

18

pub_type

杂志文章
  • Comparison of the backbone dynamics of wild-type Hydrogenobacter thermophilus cytochrome c(552) and its b-type variant.

    abstract::Cytochrome c552 from the thermophilic bacterium Hydrogenobacter thermophilus is a typical c-type cytochrome which binds heme covalently via two thioether bonds between the two heme vinyl groups and two cysteine thiol groups in a CXXCH sequence motif. This protein was converted to a b-type cytochrome by substitution of...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-015-9938-3

    authors: Tozawa K,Ferguson SJ,Redfield C,Smith LJ

    更新日期:2015-06-01 00:00:00

  • A simple protocol for expression of isotope-labeled proteins in Escherichia coli grown in shaker flasks at high cell density.

    abstract::Protein expression in E. coli grown in shaker flasks is a routine and pivotal tool in many research laboratories. To maximize protein yields, cells are normally induced in the middle of the linear growth phase, typically at an OD600 of ≤ 1 for cells grown in Luria-Bertani (LB) medium at 37 °C. We recently showed that ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-019-00285-x

    authors: Cai M,Huang Y,Craigie R,Clore GM

    更新日期:2019-12-01 00:00:00

  • High resolution observed in 800 MHz DNP spectra of extremely rigid type III secretion needles.

    abstract::The cryogenic temperatures at which dynamic nuclear polarization (DNP) solid-state NMR experiments need to be carried out cause line-broadening, an effect that is especially detrimental for crowded protein spectra. By increasing the magnetic field strength from 600 to 800 MHz, the resolution of DNP spectra of type III...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-016-0044-y

    authors: Fricke P,Mance D,Chevelkov V,Giller K,Becker S,Baldus M,Lange A

    更新日期:2016-08-01 00:00:00

  • Assignments and structure determination of the catalytic domain of human fibroblast collagenase using 3D double and triple resonance NMR spectroscopy.

    abstract::We report here the backbone 1HN, 15N, 13C alpha, 13CO, and 1H alpha NMR assignments for the catalytic domain of human fibroblast collagenase (HFC). Three independent assignment pathways (matching 1H, 13C alpha, and 13CO resonances) were used to establish sequential connections. The connections using 13C alpha resonanc...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1023/a:1018615400129

    authors: McCoy MA,Dellwo MJ,Schneider DM,Banks TM,Falvo J,Vavra KJ,Mathiowetz AM,Qoronfleh MW,Ciccarelli R,Cook ER,Pulvino TA,Wahl RC,Wang H

    更新日期:1997-01-01 00:00:00

  • Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods.

    abstract::We discuss the optimum experimental conditions to obtain assignment spectra for solid proteins at magic-angle spinning (MAS) frequencies around 100 kHz. We present a systematic examination of the MAS dependence of the amide proton T 2' times and a site-specific comparison of T 2' at 93 kHz versus 60 kHz MAS frequency....

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-015-9975-y

    authors: Penzel S,Smith AA,Agarwal V,Hunkeler A,Org ML,Samoson A,Böckmann A,Ernst M,Meier BH

    更新日期:2015-10-01 00:00:00

  • Proton, carbon, and nitrogen chemical shifts accurately delineate differences and similarities in secondary structure between the homologous proteins IRAP and IL-1 beta.

    abstract::1H alpha, 13C alpha, and 15N alpha secondary shifts, defined as the difference between the observed value and the random coil value, have been calculated for interleukin-1 receptor antagonist protein and interleukin-1 beta. Averaging of the secondary chemical shifts with those of adjacent residues was used to smooth o...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/BF02192848

    authors: Stockman BJ,Scahill TA,Strakalaitis NA,Brunner DP,Yem AW,Deibel MR Jr

    更新日期:1992-11-01 00:00:00

  • Structural investigations of a GYF domain covalently linked to a proline-rich peptide.

    abstract::Protein structure determination of low affinity complexes of interacting macromolecules is often hampered by a lack of observable NOEs between the binding partners. Covalent linkage offers a way to shift the equilibrium of the interaction partners to the bound state. Here we show that a single-chain protein containing...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1023/a:1024983029700

    authors: Freund C,Kühne R,Park S,Thiemke K,Reinherz EL,Wagner G

    更新日期:2003-10-01 00:00:00

  • Measurement of 15N-13C J couplings in staphylococcal nuclease.

    abstract::15N-C alpha and 15N-C' J couplings were measured for the backbone of staphylococcal nuclease, uniformly enriched with 15N and 13C. It is found that the 1JC'N coupling is similar for beta-sheet, J = 14.8 +/- 0.5 and for alpha-helix, J = 14.8 +/- 0.4 but tends to be larger for the unstructured N- and C-terminal ends of ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/BF02192865

    authors: Delaglio F,Torchia DA,Bax A

    更新日期:1991-11-01 00:00:00

  • Spectral densities of nitrogen nuclei in Escherichia coli ribonuclease HI obtained by 15N NMR relaxation and molecular dynamics.

    abstract::Spectral densities of the 15N amide in Escherichia coli ribonuclease HI, obtained from NMR relaxation experiments, were compared with those calculated using a molecular dynamics (MD) simulation. All calculations and comparisons assumed that the auto-correlation function describing the internal motions of the molecule ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/BF00211786

    authors: Ishima R,Yamasaki K,Saito M,Nagayama K

    更新日期:1995-09-01 00:00:00

  • NMR in target driven drug discovery: why not?

    abstract::No matter the source of compounds, drug discovery campaigns focused directly on the target are entirely dependent on a consistent stream of reliable data that reports on how a putative ligand interacts with the protein of interest. The data will derive from many sources including enzyme assays and many types of biophy...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-020-00343-9

    authors: Keiffer S,Carneiro MG,Hollander J,Kobayashi M,Pogoryelev D,Ab E,Theisgen S,Müller G,Siegal G

    更新日期:2020-11-01 00:00:00

  • RNA phosphodiester backbone dynamics of a perdeuterated cUUCGg tetraloop RNA from phosphorus-31 NMR relaxation analysis.

    abstract::We have analyzed the relaxation properties of all (31)P nuclei in an RNA cUUCGg tetraloop model hairpin at proton magnetic field strengths of 300, 600 and 900 MHz in solution. Significant H, P dipolar contributions to R (1) and R (2) relaxation are observed in a protonated RNA sample at 600 MHz. These contributions ca...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-009-9343-x

    authors: Rinnenthal J,Richter C,Nozinovic S,Fürtig B,Lopez JJ,Glaubitz C,Schwalbe H

    更新日期:2009-09-01 00:00:00

  • Attachment of an NMR-invisible solubility enhancement tag using a sortase-mediated protein ligation method.

    abstract::Sample solubility is essential for structural studies of proteins by solution NMR. Attachment of a solubility enhancement tag, such as GB1, MBP and thioredoxin, to a target protein has been used for this purpose. However, signal overlap of the tag with the target protein often made the spectral analysis difficult. Her...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-008-9296-5

    authors: Kobashigawa Y,Kumeta H,Ogura K,Inagaki F

    更新日期:2009-03-01 00:00:00

  • Resolving complex mixtures: trilinear diffusion data.

    abstract::Complex mixtures are at the heart of biology, and biomacromolecules almost always exhibit their function in a mixture, e.g., the mode of action for a spider venom is typically dependent on a cocktail of compounds, not just the protein. Information about diseases is encoded in body fluids such as urine and plasma in th...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-013-9752-8

    authors: Björnerås J,Botana A,Morris GA,Nilsson M

    更新日期:2014-04-01 00:00:00

  • Perspective: revisiting the field dependence of TROSY sensitivity.

    abstract::The discovery of the TROSY effect (Pervushin et al. in Proc Natl Acad Sci USA 94:12366-12371, 1997) for reducing transverse relaxation and line sharpening through selecting pathways in which dipole-dipole and CSA Hamiltonians partially cancel each other had a tremendous impact on solution NMR studies of macromolecules...

    journal_title:Journal of biomolecular NMR

    pub_type: 信件

    doi:10.1007/s10858-016-0075-4

    authors: Takeuchi K,Arthanari H,Wagner G

    更新日期:2016-12-01 00:00:00

  • Amide temperature coefficients in the protein G B1 domain.

    abstract::Temperature coefficients have been measured for backbone amide (1)H and (15)N nuclei in the B1 domain of protein G (GB1), using temperatures in the range 283-313 K, and pH values from 2.0 to 9.0. Many nuclei display pH-dependent coefficients, which were fitted to one or two pK(a) values. (1)H coefficients showed the e...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-011-9583-4

    authors: Tomlinson JH,Williamson MP

    更新日期:2012-01-01 00:00:00

  • Biosynthetically directed fractional 13C labeling facilitates identification of Phe and Tyr aromatic signals in proteins.

    abstract::Analysis of 2D [(13)C,(1)H]-HSQC spectra of biosynthetic fractionally (13)C labeled proteins is a reliable, straightforward means to obtain stereospecific assignments of Val and Leu methyl sites in proteins. Herein we show that the same fractionally labeled protein sample facilitates observation and identification of ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1023/a:1021662423490

    authors: Jacob J,Louis JM,Nesheiwat I,Torchia DA

    更新日期:2002-11-01 00:00:00

  • HIFI-C: a robust and fast method for determining NMR couplings from adaptive 3D to 2D projections.

    abstract::We describe a novel method for the robust, rapid, and reliable determination of J couplings in multi-dimensional NMR coupling data, including small couplings from larger proteins. The method, "High-resolution Iterative Frequency Identification of Couplings" (HIFI-C) is an extension of the adaptive and intelligent data...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-007-9173-7

    authors: Cornilescu G,Bahrami A,Tonelli M,Markley JL,Eghbalnia HR

    更新日期:2007-08-01 00:00:00

  • The war of tools: how can NMR spectroscopists detect errors in their structures?

    abstract::Protein structure determination by NMR methods has started in the mid-eighties and has been growing steadily since then. Ca. 14% of the protein structures deposited in the PDB have been solved by NMR. The evaluation of the quality of NMR structures however is still lacking a well-established practice. In this work, we...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-008-9228-4

    authors: Saccenti E,Rosato A

    更新日期:2008-04-01 00:00:00

  • Improved NMR spectra of a protein-DNA complex through rational mutagenesis and the application of a sensitivity optimized isotope-filtered NOESY experiment.

    abstract::The NMR spectra of the complex between the DNA-binding domain of the Dead ringer protein (DRI-DBD, Gly262-Gly398) and its DNA binding site (DRI-DBD:DNA, 26 kDa) have been optimized by biochemical and spectroscopic means. First, we demonstrate the utility of a modified 2D [F1,F2] 13C-filtered NOESY experiment that empl...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1023/a:1011296112710

    authors: Iwahara J,Wojciak JM,Clubb RT

    更新日期:2001-03-01 00:00:00

  • Efficient cellular solid-state NMR of membrane proteins by targeted protein labeling.

    abstract::Solid-state NMR spectroscopy (ssNMR) has made significant progress towards the study of membrane proteins in their native cellular membranes. However, reduced spectroscopic sensitivity and high background signal levels can complicate these experiments. Here, we describe a method for ssNMR to specifically label a singl...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-015-9936-5

    authors: Baker LA,Daniëls M,van der Cruijsen EA,Folkers GE,Baldus M

    更新日期:2015-06-01 00:00:00

  • NMR of bicelles: orientation and mosaic spread of the liquid-crystal director under sample rotation.

    abstract::Model-membrane systems composed of liquid-crystalline bicellar phases can be uniaxially oriented with respect to a magnetic field, thereby facilitating structural and dynamics studies of membrane-associated proteins. Here we quantitatively characterize a method that allows the manipulation of the direction of this uni...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1023/a:1022236217018

    authors: Zandomeneghi G,Tomaselli M,Williamson PT,Meier BH

    更新日期:2003-02-01 00:00:00

  • Measurement of 15N csa/dipolar cross-correlation rates by means of Spin State Selective experiments.

    abstract::We propose a method for the determination of (15)N csa/dipolar cross-correlation rates based on the measurement of the two apparent transverse (or longitudinal) relaxation rates associated with each component of the nitrogen doublet (N(alpha) and N(beta)). This is achieved by inserting a spin state selective scheme in...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1023/b:jnmr.0000048948.66235.d9

    authors: Bouguet-Bonnet S,Mutzenhardt P,Canet D

    更新日期:2004-10-01 00:00:00

  • Definition of a new information-based per-residue quality parameter.

    abstract::For biomolecular NMR structures typically only a poor correspondence is observed between statistics derived from the experimental input data and structural quality indicators obtained from the structure ensembles. Here, we investigate the relationship between the amount of available NMR data and structure quality. By ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-005-2826-5

    authors: Nabuurs SB,Krieger E,Spronk CA,Nederveen AJ,Vriend G,Vuister GW

    更新日期:2005-10-01 00:00:00

  • Selective 1H- 13C NMR spectroscopy of methyl groups in residually protonated samples of large proteins.

    abstract::Methyl (13)CHD(2) isotopomers of all methyl-containing amino-acids can be observed in residually protonated samples of large proteins obtained from [U-(13)C,(1)H]-glucose/D(2)O-based bacterial media, with sensitivity sufficient for a number of NMR applications. Selective detection of some subsets of methyl groups (Ala...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-009-9393-0

    authors: Guo C,Tugarinov V

    更新日期:2010-02-01 00:00:00

  • An NMR method for studying the kinetics of metal exchange in biomolecular systems.

    abstract::The kinetics of lanthanide (III) exchange for calcium(II) in the C-terminal EF-hand of the protein calbindin D9k have been studied by one-dimensional (1D) stopped-flow NMR. By choosing a paramagnetic lanthanide (Ce3+), kinetics in the sub-second range can be easily measured. This is made possible by the fact that (i) ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1023/a:1020245031235

    authors: Barbieri R,Hore PJ,Luchina C,Pierattelli R

    更新日期:2002-08-01 00:00:00

  • Trans-hydrogen bond deuterium isotope effects of A:T base pairs in DNA.

    abstract::The chemical shifts of (13)C2 of adenosine residues of DNA were observed to experience a through-space or trans-hydrogen bond isotope effect as a result of deuterium substitution at the imino hydrogen site of base-paired thymidine residues. NMR measurements of several self-complementary DNA duplexes at natural abundan...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1023/B:JNMR.0000019507.95667.3e

    authors: Vakonakis I,LiWang AC

    更新日期:2004-05-01 00:00:00

  • Advances towards resonance assignments for uniformly--13C, 15N enriched bacteriorhodopsin at 18.8 T in purple membranes.

    abstract::Solid state NMR spectra from uniformly (13)C, (15)N enriched bacteriorhodospin (bR) purified from H. salinarium were acquired at 18.8 T using magic angle spinning methods. Isolated resonances of 2D (13)C-(13)C spectra exhibited 0.50-0.55 ppm line-widths. Several amino acid types could be assigned, and at least 12 out ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-008-9235-5

    authors: Varga K,Aslimovska L,Watts A

    更新日期:2008-05-01 00:00:00

  • Importance of time-ordered non-uniform sampling of multi-dimensional NMR spectra of Aβ1-42 peptide under aggregating conditions.

    abstract::Although the order of the time steps in which the non-uniform sampling (NUS) schedule is implemented when acquiring multi-dimensional NMR spectra is of limited importance when sample conditions remain unchanged over the course of the experiment, it is shown to have major impact when samples are unstable. In the latter...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-019-00235-7

    authors: Ying J,Barnes CA,Louis JM,Bax A

    更新日期:2019-09-01 00:00:00

  • Comparison of fast backbone dynamics at amide nitrogen and carbonyl sites in dematin headpiece C-terminal domain and its S74E mutant.

    abstract::We perform a detailed comparison of fast backbone dynamics probed at amide nitrogen versus carbonyl carbon sites for dematin headpiece C-terminal domain (DHP) and its S74E mutant (DHPS74E). Carbonyl dynamics is probed via auto-correlated longitudinal rates and transverse C'/C'-C(alpha) CSA/dipolar and C'/C'-N CSA/dipo...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-010-9417-9

    authors: Vugmeyster L,Ostrovsky D,Li Y

    更新日期:2010-06-01 00:00:00

  • Complexity of aromatic ring-flip motions in proteins: Y97 ring dynamics in cytochrome c observed by cross-relaxation suppressed exchange NMR spectroscopy.

    abstract::Dynamics of large-amplitude conformational motions in proteins are complex and less understood, although these processes are intimately associated with structure, folding, stability, and function of proteins. Here, we use a large set of spectra obtained by cross-relaxation suppressed exchange NMR spectroscopy (EXSY) t...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章

    doi:10.1007/s10858-007-9186-2

    authors: Rao DK,Bhuyan AK

    更新日期:2007-11-01 00:00:00