Narrow carbonyl resonances in proton-diluted proteins facilitate NMR assignments in the solid-state.


:HNCO/HNCACO type correlation experiments are an alternative for assignment of backbone resonances in extensively deuterated proteins in the solid-state, given the fact that line widths on the order of 14-17 Hz are achieved in the carbonyl dimension without the need of high power decoupling. The achieved resolution demonstrates that MAS solid-state NMR on extensively deuterated proteins is able to compete with solution-state NMR spectroscopy if proteins are investigated with correlation times tau(c) that exceed 25 ns.


J Biomol NMR


Linser R,Fink U,Reif B




Has Abstract


2010-05-01 00:00:00












  • Visualizing the principal component of ¹H, ¹⁵N-HSQC NMR spectral changes that reflect protein structural or functional properties: application to troponin C.

    abstract::Laboratories often repeatedly determine the structure of a given protein under a variety of conditions, mutations, modifications, or in a number of states. This approach can be cumbersome and tedious. Given then a database of structures, identifiers, and corresponding (1)H,(15)N-HSQC NMR spectra for homologous protein...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Robertson IM,Boyko RF,Sykes BD

    更新日期:2011-09-01 00:00:00

  • Time-shared HSQC-NOESY for accurate distance constraints measured at high-field in (15)N-(13)C-ILV methyl labeled proteins.

    abstract::We present a time-shared 3D HSQC-NOESY experiment that enables one to simultaneously record (13)C- and (15)N-dispersed spectra in Ile, Leu and Val (ILV) methyl-labeled samples. This experiment is designed to delineate the two spectra which would otherwise overlap with one another when acquired together. These spectra ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Frueh DP,Leed A,Arthanari H,Koglin A,Walsh CT,Wagner G

    更新日期:2009-11-01 00:00:00

  • Characterizing the magnetic susceptibility tensor of lanthanide-containing polymethylated-DOTA complexes.

    abstract::Lanthanide complexes based on the DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) cage are commonly used as phase contrast agents in magnetic resonance imaging, but can also be utilized in structural NMR applications due to their ability to induce either paramagnetic relaxation enhancement or a pseudoc...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Strickland M,Schwieters CD,Göbl C,Opina AC,Strub MP,Swenson RE,Vasalatiy O,Tjandra N

    更新日期:2016-10-01 00:00:00

  • Structural features of the metal binding site and dynamics of gallium putidaredoxin, a diamagnetic derivative of a Cys4Fe2S2 ferredoxin.

    abstract::The first reconstitution of an Fe2S2 ferredoxin with a diamagnetic prosthetic group was recently described [Kazanis et al. (1995) J. Am. Chem. Soc., 117, 6625-6626]. The replacement of the iron-sulfur cluster of the bacterial ferredoxin putidaredoxin (Pdx) by gallium (Ga3+) renders the protein diamagnetic and permits ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Kazanis S,Pochapsky TC

    更新日期:1997-06-01 00:00:00

  • Extension of the HA-detection based approach: (HCA)CON(CA)H and (HCA)NCO(CA)H experiments for the main-chain assignment of intrinsically disordered proteins.

    abstract::Extensive resonance overlap exacerbates assignment of intrinsically disordered proteins (IDPs). This issue can be circumvented by utilizing (15)N, (13)C' and (1)H(N) spins, where the chemical shift dispersion is mainly dictated by the characteristics of consecutive amino acid residues. Especially (15)N and (13)C' spin...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Mäntylahti S,Hellman M,Permi P

    更新日期:2011-02-01 00:00:00

  • On the calculation of ³Jαβ-coupling constants for side chains in proteins.

    abstract::Structural knowledge about proteins is mainly derived from values of observables, measurable in NMR spectroscopic or X-ray diffraction experiments, i.e. absorbed or scattered intensities, through theoretically derived relationships between structural quantities such as atom positions or torsional angles on the one han...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Steiner D,Allison JR,Eichenberger AP,van Gunsteren WF

    更新日期:2012-07-01 00:00:00

  • Development of in vitro-grown spheroids as a 3D tumor model system for solid-state NMR spectroscopy.

    abstract::Recent advances in the field of in-cell NMR spectroscopy have made it possible to study proteins in the context of bacterial or mammalian cell extracts or even entire cells. As most mammalian cells are part of a multi-cellular complex, there is a need to develop novel NMR approaches enabling the study of proteins with...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Damman R,Lucini Paioni A,Xenaki KT,Beltrán Hernández I,van Bergen En Henegouwen PMP,Baldus M

    更新日期:2020-09-01 00:00:00

  • Accessing ns-micros side chain dynamics in ubiquitin with methyl RDCs.

    abstract::This study presents the first application of the model-free analysis (MFA) (Meiler in J Am Chem Soc 123:6098-6107, 2001; Lakomek in J Biomol NMR 34:101-115, 2006) to methyl group RDCs measured in 13 different alignment media in order to describe their supra-tau (c) dynamics in ubiquitin. Our results indicate that meth...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Farès C,Lakomek NA,Walter KF,Frank BT,Meiler J,Becker S,Griesinger C

    更新日期:2009-09-01 00:00:00

  • Three-dimensional heteronuclear NMR techniques for assignment and conformational analysis using exchangeable protons in uniformly 13C-enriched oligosaccharides.

    abstract::We present heteronuclear three-dimensional gradient-NMR techniques for the resonanceassignment of exchangeable (-OH and -NH) protons in uniformly 13C isotopically enrichedoligosaccharides and for the measurement of 1H-1H nuclear Overhauser enhancementsinvolving these protons. These techniques are derived from conventi...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Harris R,Rutherford TJ,Milton MJ,Homans SW

    更新日期:1997-01-01 00:00:00

  • NMRPipe: a multidimensional spectral processing system based on UNIX pipes.

    abstract::The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs runni...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Delaglio F,Grzesiek S,Vuister GW,Zhu G,Pfeifer J,Bax A

    更新日期:1995-11-01 00:00:00

  • Adiabatic TOBSY in rotating solids.

    abstract::A MAS solid state NMR approach for achieving efficient scalar coupling mediated through-bond (13)C chemical shift correlations of the aliphatic carbons in uniformly labelled peptides/proteins is described. The method involves the application of a continuous train of adiabatic inversion pulses, as in the adiabatic TOCS...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Leppert J,Ohlenschläger O,Görlach M,Ramachandran R

    更新日期:2004-06-01 00:00:00

  • [13C]-constant-time [15N,1H]-TROSY-HNCA for sequential assignments of large proteins.

    abstract::The greatly improved sensitivity resulting from the use of TROSY during 15N evolution and amide proton acquisition enables the recording of HNCA spectra of large proteins with constant-time 13C alpha evolution. In [13C]-ct-[15N,1H]-TROSY-HNCA experiments with a 2H/13C/15N-labeled 110 kDa protein, 7,8-dihydroneopterin ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Salzmann M,Pervushin K,Wider G,Senn H,Wüthrich K

    更新日期:1999-05-01 00:00:00

  • Application of neural networks to automated assignment of NMR spectra of proteins.

    abstract::Simulated neural networks are described which aid the assignment of protein NMR spectra. A network trained to recognize amino acid type from TOCSY data was trained on 148 assigned spin systems from E. coli acyl carrier proteins (ACPs) and tested on spin systems from spinach ACP, which has a 37% sequence homology with ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Hare BJ,Prestegard JH

    更新日期:1994-01-01 00:00:00

  • Adiabatic heteronuclear decoupling in rotating solids.

    abstract::In magic angle spinning solid state NMR experiments the potential of heteronuclear (1)H decoupling employing a continuous train of adiabatic inversion pulses has been assessed via numerical simulations and experimental measurements. It is shown that, with a (1)H RF field strength of approximately 100 kHz that is typic...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Leppert J,Ohlenschläger O,Görlach M,Ramachandran R

    更新日期:2004-07-01 00:00:00

  • Application of correlated residual dipolar couplings to the determination of the molecular alignment tensor magnitude of oriented proteins and nucleic acids.

    abstract::Residual dipolar couplings (RDC) between nuclear spins in partially aligned samples offer unique insights into biomacromolecular structure and dynamics. To fully benefit from the RDC data, accurate knowledge of the magnitude ( D (a)) and rhombicity ( R ) of the molecular alignment tensor, A, is important. An extended ...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Bryce DL,Bax A

    更新日期:2004-03-01 00:00:00

  • Optimisation of NMR dynamic models I. Minimisation algorithms and their performance within the model-free and Brownian rotational diffusion spaces.

    abstract::The key to obtaining the model-free description of the dynamics of a macromolecule is the optimisation of the model-free and Brownian rotational diffusion parameters using the collected R (1), R (2) and steady-state NOE relaxation data. The problem of optimising the chi-squared value is often assumed to be trivial, ho...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: d'Auvergne EJ,Gooley PR

    更新日期:2008-02-01 00:00:00

  • Alpha protons as NMR probes in deuterated proteins.

    abstract::We describe a new labeling method that allows for full protonation at the backbone Hα position, maintaining protein side chains with a high level of deuteration. We refer to the method as alpha proton exchange by transamination (α-PET) since it relies on transaminase activity demonstrated here using Escherichia coli e...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Movellan KT,Najbauer EE,Pratihar S,Salvi M,Giller K,Becker S,Andreas LB

    更新日期:2019-02-01 00:00:00

  • Strategy for automated NMR resonance assignment of RNA: application to 48-nucleotide K10.

    abstract::A procedure is presented for automated sequence-specific assignment of NMR resonances of uniformly [(13)C, (15)N]-labeled RNA. The method is based on a suite of four through-bond and two through-space high-dimensional automated projection spectroscopy (APSY) experiments. The approach is exemplified with a 0.3 mM sampl...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Krähenbühl B,Lukavsky P,Wider G

    更新日期:2014-08-01 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


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

    更新日期:2002-08-01 00:00:00

  • Nucleotide-type chemical shift assignment of the encapsulated 40 kbp dsDNA in intact bacteriophage T7 by MAS solid-state NMR.

    abstract::The icosahedral bacteriophage T7 is a 50 MDa double-stranded DNA (dsDNA) virus that infects Escherichia coli. Although there is substantial information on the physical and morphological properties of T7, structural information, based mostly on Raman spectroscopy and cryo-electron microscopy, is limited. Here, we apply...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Abramov G,Goldbourt A

    更新日期:2014-08-01 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


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

    更新日期:2003-10-01 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


    authors: Saccenti E,Rosato A

    更新日期:2008-04-01 00:00:00

  • 1H and 13C NMR assignments for the glycans in glycoproteins by using 2H/13C-labeled glucose as a metabolic precursor.

    abstract::In order to understand the role of the glycans in glycoproteins in solution, structural information obtained by NMR spectroscopy is obviously required. However, the assignment of the NMR signals from the glycans in larger glycoproteins is still difficult, mainly due to the lack of appropriate methods for the assignmen...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Yamaguchi Y,Takizawa T,Kato K,Arata Y,Shimada I

    更新日期:2000-12-01 00:00:00

  • Application of virus-like particles (VLP) to NMR characterization of viral membrane protein interactions.

    abstract::The membrane proteins of viruses play critical roles in the virus life cycle and are attractive targets for therapeutic intervention. Virus-like particles (VLP) present the possibility to study the biochemical and biophysical properties of viral membrane proteins in their native environment. Specifically, the VLP cons...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Antanasijevic A,Kingsley C,Basu A,Bowlin TL,Rong L,Caffrey M

    更新日期:2016-03-01 00:00:00

  • The NMR structure of the domain II of a chloroplastic NifU-like protein OsNifU1A.

    abstract::NifU-like proteins are a highly conserved protein that serves as the scaffold for assembly of Fe-S clusters. Chloroplastic NifU-like proteins have tandem NifU like domains, named domain I and domain II. Although the amino acid sequences of these domains are very similar to each other, the predicted functional region f...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Kumeta H,Ogura K,Asayama M,Katoh S,Katoh E,Teshima K,Inagaki F

    更新日期:2007-06-01 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


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

    更新日期:1992-11-01 00:00:00

  • Determination of a complete set of coupling constants in 13C-labeled oligonucleotides.

    abstract::Three experiments are introduced to determine a complete set of coupling constants in RNA oligomers. In the HCCH-E.COSY experiment, the vicinal proton-proton coupling constants can be measured with high accuracy. In the P-FIDS-CT-HSQC experiment, vicinal proton-phosphorus and carbon-phosphorus couplings are measured t...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Schwalbe H,Marino JP,King GC,Wechselberger R,Bermel W,Griesinger C

    更新日期:1994-09-01 00:00:00

  • Cryoprotection of lipid membranes for high-resolution solid-state NMR studies of membrane peptides and proteins at low temperature.

    abstract::Solid-state NMR spectra of membrane proteins often show significant line broadening at cryogenic temperatures. Here we investigate the effects of several cryoprotectants to preserve the spectral resolution of lipid membranes and membrane peptides at temperatures down to ~200 K. Trehalose, glycerol, dimethylsulfoxide (...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Lee M,Hong M

    更新日期:2014-08-01 00:00:00

  • Comparison of protein solution structures refined by molecular dynamics simulation in vacuum, with a generalized Born model, and with explicit water.

    abstract::The inclusion of explicit solvent water in molecular dynamics refinement of NMR structures ought to provide the most physically meaningful accounting for the effects of solvent on structure, but is computationally expensive. In order to evaluate the validity of commonly used vacuum refinements and of recently develope...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Xia B,Tsui V,Case DA,Dyson HJ,Wright PE

    更新日期:2002-04-01 00:00:00

  • NMR resonance assignments for sparsely 15N labeled proteins.

    abstract::For larger proteins, and proteins not amenable to expression in bacterial hosts, it is difficult to deduce structures using NMR methods based on uniform (13)C, (15)N isotopic labeling and observation of just nuclear Overhauser effects (NOEs). In these cases, sparse labeling with selected (15)N enriched amino acids and...

    journal_title:Journal of biomolecular NMR

    pub_type: 杂志文章


    authors: Feng L,Lee HS,Prestegard JH

    更新日期:2007-07-01 00:00:00