Observation of through-hydrogen-bond 2hJHC' in a perdeuterated protein.

@article{Cordier1999ObservationOT,
  title={Observation of through-hydrogen-bond 2hJHC' in a perdeuterated protein.},
  author={Florence Cordier and Marco Rogowski and Stephan Grzesiek and Adriaan Bax},
  journal={Journal of magnetic resonance},
  year={1999},
  volume={140 2},
  pages={
          510-2
        }
}
It is demonstrated that J connectivity between amide protons and hydrogen-bond-accepting carbonyl carbons can be observed in perdeuterated human ubiquitin. A selective pulse scheme is used to detect these small 2hJHC' interactions in the presence of the much larger through-covalent-bond 2JHC' and 3JHC' couplings. The ratio of the observed through-H-bond correlation intensity and the 2JHC' connectivity observed in a reference spectrum indicates 2hJHC' values of ca. 0.4-0.6 Hz, which are only… 

Figures from this paper

3hJ Coupling between Cα and HN across Hydrogen Bonds in Proteins
Abstract J couplings between 13Cα and 1HN across hydrogen bonds in proteins are reported for the first time, and a two- or three-dimensional NMR technique for their measurement is presented. The
Characterization of the hydrogen bond network in guanosine quartets by internucleotide 3hJNC′ and 2hJNN scalar couplings
TLDR
A pulse scheme that allows such an observation and quantification of trans-hydrogen bond 3hJNC′ correlations in nucleic acid base pairs, between the imino nitrogen 15N1 and the carbonyl 13C6 nuclei within the guanine quartets of the Oxy-1.5 DNA-quadruplex is presented.
Observation of H-bond mediated 3hJH2H3coupling constants across Watson–Crick AU base pairs in RNA
TLDR
The dependency of the 3hJH2H3coupling constant on H-bond strength and geometry makes it a new probe for defining base pairs in NMR studies of nucleic acids.
Helix-Capping Histidines: Diversity of N–H···N Hydrogen Bond Strength Revealed by 2hJNN Scalar Couplings
TLDR
The relative ease of 2hJNN detection suggests that this parameter can become part of the standard arsenal for describing histidines in helix caps and other key structural and catalytic elements involving NH···N H-bonds, as a sensitive marker of local structural, dynamic, and thermodynamic properties in biomolecules.
An Introduction to Hydrogen Bond Scalar
The hydrogen bond H-bond has been recognized in science for more than 80 years as a concept to explain situations where a hydrogen atom is simultaneously binding to two other atoms. Due to the
The largest 15N-15N coupling constant across an NHN hydrogen bond.
TLDR
A novel class of anionic H-chelates with 15N–15N coupling constants of more than 16 Hz is described, and the geometries of the intramolecular NHN hydrogen bonds of these anions are characterized.
The 19F–1H coupling constants transmitted through covalent, hydrogen bond, and van der Waals interactions
The 19F–1H coupling constants were calculated on the multiconfiguration self-consistent field (MCSCF) level in several systems, ranging from covalently bonded HF, hydrogen bonded FHF− and (HF)2
Structural dependencies of protein backbone 2JNC′ couplings
TLDR
Findings indicate that elevated 2JNC′ couplings may serve as reporters of structural strain in the protein backbone imposed by protein folds, and provides useful insight into the overall energy profile of theprotein backbone in solution.
An introduction to hydrogen bond scalar couplings
The hydrogen bond (H-bond) has been recognized in science for more than 80 years as a concept to explain situations where a hydrogen atom is simultaneously binding to two other atoms. Due to the
NMR detection of side chain–side chain hydrogen bonding interactions in 13C/15N-labeled proteins
TLDR
The identification of trans-hydrogen bond J-couplings between protein side chains should provide useful markers for monitoring hydrogen bonding interactions that contribute to the stability of protein folds, to alignments within enzyme active sites and to recognition events at macromolecular interfaces.
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 21 REFERENCES
Correlation between 3hJNC‘ and Hydrogen Bond Length in Proteins
Establishing a quantitative relationship between backbone−backbone hydrogen-bond (H-bond) length observed in protein crystal structures and recently observed 3hJNC‘ couplings across such bonds is
Measurement of 3hJNC′ connectivities across hydrogen bonds in a 30 kDa protein
TLDR
A method is described which permits detection of 3h JNC′ scalar couplings across hydrogen bonds in larger, perdeuterated proteins using constructive interference between the 15N chemical shift anisotropy and 1 H-15N dipole-dipole relaxation mechanisms in a manner similar to that of recently proposed TROSY schemes.
Quantitative measurement of small through-hydrogen-bond and ‘through-space’1H-113Cd and1H-199Hg J couplings in metal-substituted rubredoxin fromPyrococcus furiosus
TLDR
The method is based on quantitative analysis of a phase-purged heteronuclear spin-echo difference spectrum, and is demonstrated for measuring 1H-113Cd and1H-199Hg J couplings in metal-substituted rubredoxin from Pyrococcus furiosus.
Identification of the Hydrogen Bonding Network in a Protein by Scalar Couplings
In macromolecules, the presence of H bonds is indicated by the spatial proximity and relative arrangement of the atoms involved, after the structure has been solved by either crystallography or NMR.
Direct Observation of Hydrogen Bonds in Nucleic Acid Base Pairs by Internucleotide 2JNN Couplings
Hydrogen bonds play a key role in the stabilization of protein and nucleic acid secondary structure. Currently, most of the experimental evidence for the interaction of hydrogen bond donor and
Internucleotide Scalar Couplings Across Hydrogen Bonds in Watson-Crick and Hoogsteen Base Pairs of a DNA Triplex
An extensive analysis of trans-hydrogen bond 2hJNN and 1hJHN scalar couplings, the covalent 1JHN couplings, and the imino proton chemical shifts is presented for Hoogsteen−Watson−Crick T•A−T and
NMR scalar couplings across Watson-Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy.
TLDR
NMR observation of 15N---15N and 1H--- 15N scalar couplings across the hydrogen bonds in Watson-Crick base pairs in a DNA duplex, hJNN and hJHN represents new parameters of interest for both structural studies of DNA and theoretical investigations into the nature of the hydrogen Bonds.
Observation and measurement of internucleotide 2JNN coupling constants between 15N nuclei with widely separated chemical shifts
TLDR
Pulse sequences for observation and measurement of 2JNN coupling constants between amino and N7 nuclei are presented and demonstrated on an A-A mismatch segment of the uniformly (15N,13C) labelled DNA sample, d(GGAGGAT)2.
Determination of the Backbone Dihedral Angles φ in Human Ubiquitin from Reparametrized Empirical Karplus Equations
TLDR
For any given residue, the differences between the four measured J couplings and values predicted by their Karplus curves on the basis of the X-ray structure-derived φ angle are highly correlated with one another.
Nuclear Scalar Spin–Spin Coupling Reveals Novel Properties of Low‐Barrier Hydrogen Bonds in a Polar Environment
The structure of the hydrogen bridge 19 F· ·· 1 H· ·· 15 N in the acid - base complex A ··· H ··· B formed by HF and ( 15 N)2,4,6-trimethylpyridine in CDF3/ CDF2Cl has been studied between 112 K and
...
1
2
3
...