Couplings across Hydrogen Bonds

Detection of very small coupling between Arg and Asp side 

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In addition to testing predictions of tire patlrway model in proteins, experiments have also examined tire prediction tlrat tire decay across a hydrogen bond (from heteroatom to heteroatom) should be about as costly as tire decay across two covalent bonds. Indeed, by syntlresizing a family of hydrogen bonded aird covalently bonded systems witlr equal bond counts (according to this recipe), it was demonstrated tlrat coupling across hydrogen bonded... 

A. J. Dingley F. Cordier V. A. Jaravine S. Grzesiek, Scalar Couplings Across Hydrogen Bonds. In BioNMR in Drug Research ... 

Recently detected couplings across hydrogen bonds have become an object of great interest. Theoretical studies on this topic have been performed by Del Bene et al., who analysed the parameters which determine N-N and 0-0 couplings, across X-H - X hydrogen bonds,and considered to what extent the bonding at the nitrogens influences Comprehensive ab... 

Couplings across hydrogen bonds 2D soft CPD-H(N)CO 2D H2N6N3 2D (H6)N6N3H2 /nn-TROSY... 

Recent developments in the direct observation of J couplings across hydrogen bonds in proteins and nucleic acids provide additional information for structure and function studies of these molecules by NMR spectroscopy. Yan et al proposed a modified J(N,N)-correlated TROSY experiment... 

Shenderovich, I. G., Tolstoy, P. M., Golubev, N. S., Smirnov, S. N., Denisov, G. S. and Limbach, H. H. (2003) Low-temperature NMR studies of the structure and dynamics of a novel series of acid-base complexes of HF with collidine exhibiting scalar couplings across hydrogen bonds, J. Am. Chem. Soc. 125, 11710-11720.. 

A short overlook on transverse relaxation-optimized spectroscopy (TROSY) in combination with various isotope-labelling techniques has been published by Fernandez and Wider. The method improves, among others, the detection of scalar couplings across hydrogen bonds, providing crucial information on the determination of solution structures of large proteins and oligonucleotides. 

Dingley, A.J., Masse, J.E., Peterson, R.D., Barfield, M., Feigon, J., and Grzesiek, S. 1999. Internucleotide scalar couplings across hydrogen bonds in Watson-Crick and Hoogsteen base pairs of a DNA triplex. J.Am. Chem. Soc. 121 6019-6027. 

Theory and implementation of calculation of spin-spin couplings within combined quantum mechanics/molecular mechanics methods have been applied by Mogelhoj et for prediction of spin-spin couplings in liquid water and acetylene in aqueous solution. They have also discussed the role of a solvent on spin-spin couplings across hydrogen bonds in the water dimer. 

A short review of the sources of information on RNA structures has been given by Quin and Dieckman. These included scalar couplings across hydrogen bonds used for identification of crucial interactions and dipolar couplings used to define global RNA structure. 

Scalar couplings across hydrogen bonds have a strong dependence on the donor-acceptor distances. This was used by Jaravine et to evaluate the effect of H/D exchange on the H-bond geometry. The J(N,C ) was measured in the HA(CACO)NCO experiment that can be applied to the protonated and... 

Spin-spin couplings across hydrogen bonds and similar bonds including couplings across H, Li and halogen atoms... 

Figure 10.5 NMR scalar couplings across hydrogen bonds in ubiquitin. (a) Three-dimensional structure of ubiquitin with H-bonds highlighted by CPK atoms, (b) Projection into the 2D scheme where secondary structures are shown. H-bonds are marked by arrows pointing from donor to acceptor residues, and numbered with light and...

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