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Volumn 145, Issue 1, 2000, Pages 142-146

Hydrogen Bonding Effects on the 15 N and 1 H Shielding Tensors in Nucleic Acid Base Pairs

Author keywords

Ab initio calculations; Chemical shielding tensor; NMR; Purines; Pyrimidines; Relaxation; TROSY

Indexed keywords

CYTOSINE; GUANINE; HYDROGEN; NITROGEN;

EID: 0034220541     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmre.2000.2091     Document Type: Editorial
Times cited : (42)

References (33)
  • 2
    • 0032558085 scopus 로고    scopus 로고
    • 15 N Chemical Shift Anisotropy from NMR Relaxation Data. Ubiquitin as a Test Sample
    • 15 N Relaxation Data for a Protein in Solution, J. Am. Chem. Soc. 120, 9692-9693 (1998).
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 7109-7110
    • Fushman, D.1    Cowburn, D.2
  • 3
    • 0032560968 scopus 로고    scopus 로고
    • 15 N Relaxation Data for a Protein in Solution
    • 15 N Relaxation Data for a Protein in Solution, J. Am. Chem. Soc. 120, 9692-9693 (1998).
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 9692-9693
    • Boyd, J.1    Redfield, C.2
  • 5
    • 0032587511 scopus 로고    scopus 로고
    • 15 N relaxation, CSA/dipolar cross-correlation, and TROSY
    • 15 N relaxation, CSA/dipolar cross-correlation, and TROSY, J. Biomol. NMR 13, 139 (1999).
    • (1999) J. Biomol. NMR , vol.13 , pp. 139
    • Fushman, D.1    Cowburn, D.2
  • 6
    • 0030612833 scopus 로고    scopus 로고
    • 2 relaxation by mutual cancellation of dipole-dipole and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution
    • 2 relaxation by mutual cancellation of dipole-dipole and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution, Proc. Natl. Acad. Sci. USA 94, 12366-12371 (1997); R. Riek, G. Wider, K. Pervushin, and K. Wüthrich, Polarization transfer by cross-correlated relaxation in solution NMR with very large molecules, Proc. Natl. Acad. Sci. USA 96, 4918-4923 (1999).
    • (1997) Proc. Natl. Acad. Sci. USA , vol.94 , pp. 12366-12371
    • Pervushin, K.1    Riek, R.2    Wider, G.3    Wüthrich, K.4
  • 7
    • 0033609011 scopus 로고    scopus 로고
    • Polarization transfer by cross-correlated relaxation in solution NMR with very large molecules
    • 2 relaxation by mutual cancellation of dipole-dipole and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution, Proc. Natl. Acad. Sci. USA 94, 12366-12371 (1997); R. Riek, G. Wider, K. Pervushin, and K. Wüthrich, Polarization transfer by cross-correlated relaxation in solution NMR with very large molecules, Proc. Natl. Acad. Sci. USA 96, 4918-4923 (1999).
    • (1999) Proc. Natl. Acad. Sci. USA , vol.96 , pp. 4918-4923
    • Riek, R.1    Wider, G.2    Pervushin, K.3    Wüthrich, K.4
  • 9
    • 0027684121 scopus 로고
    • Geometries and energies of Watson-Crick base pairs in oligonucleotide crystal structures
    • J. Jursa and J. Kypr, Geometries and energies of Watson-Crick base pairs in oligonucleotide crystal structures, Gen. Physiol. Biophys. 12, 401-419 (1993).
    • (1993) Gen. Physiol. Biophys. , vol.12 , pp. 401-419
    • Jursa, J.1    Kypr, J.2
  • 10
    • 0032564349 scopus 로고    scopus 로고
    • NMR scalar coupling across Watson-Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy
    • K. Pervushin, A. Ono, C. Fernández, T. Szyperski, M. Kainosho, and K. Wüthrich, NMR scalar coupling across Watson-Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy, Proc. Natl. Acad. Sci. USA 95, 14147-14151 (1998).
    • (1998) Proc. Natl. Acad. Sci. USA , vol.95 , pp. 14147-14151
    • Pervushin, K.1    Ono, A.2    Fernández, C.3    Szyperski, T.4    Kainosho, M.5    Wüthrich, K.6
  • 11
    • 0033618071 scopus 로고    scopus 로고
    • Internuclear scalar couplings across hydrogen bonds in Watson-Crick and Hoogsteen base pairs of a DNA triplex
    • A. J. Dingley, J. E. Masse, R. D. Peterson, M. Barfield, J. Feigon, and S. Grzesiek, Internuclear scalar couplings across hydrogen bonds in Watson-Crick and Hoogsteen base pairs of a DNA triplex, J. Am. Chem. Soc. 121, 6019-6027 (1999).
    • (1999) J. Am. Chem. Soc. , vol.121 , pp. 6019-6027
    • Dingley, A.J.1    Masse, J.E.2    Peterson, R.D.3    Barfield, M.4    Feigon, J.5    Grzesiek, S.6
  • 12
    • 0347358202 scopus 로고    scopus 로고
    • Theories of chemical shift anisotropies in proteins and nucleic acids
    • D Sitkoff and D. Case, Theories of chemical shift anisotropies in proteins and nucleic acids, Proc. Nucl. Magn. Spectrosc. 32, 165-190 (1998).
    • (1998) Proc. Nucl. Magn. Spectrosc. , vol.32 , pp. 165-190
    • Sitkoff, D.1    Case, D.2
  • 15
    • 85031556196 scopus 로고    scopus 로고
    • note
    • The structure ID:BDL001 is a B-DNA double helix. Residues 4 (G) and 21 (C) were selected.
  • 16
    • 0002000577 scopus 로고
    • Gaussian-based density functional methodology, software, and applications
    • (J. Labanowski and J. W. Andzelm, Eds.), Springer-Verlag, New York
    • D. R. Salahub, R. Fournier, P. Mlynarski, A. Papai, A. St-Amant, and J. Uskio, Gaussian-based density functional methodology, software, and applications, in "Density Functional Methods in Chemistry" (J. Labanowski and J. W. Andzelm, Eds.), pp. 77-100, Springer-Verlag, New York (1991).
    • (1991) Density Functional Methods in Chemistry , pp. 77-100
    • Salahub, D.R.1    Fournier, R.2    Mlynarski, P.3    Papai, A.4    St-Amant, A.5    Uskio, J.6
  • 18
    • 33645898818 scopus 로고
    • Accurate and simple analytic representation of the electron-gas correlation energy
    • J. P. Perdew and Y. Wang, Accurate and simple analytic representation of the electron-gas correlation energy, Phys. Rev. B 45, 13244-13249 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 13244-13249
    • Perdew, J.P.1    Wang, Y.2
  • 19
    • 23244460838 scopus 로고
    • Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
    • J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation, Phys. Rev. B 46, 6671-6687 (1992).
    • (1992) Phys. Rev. B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 20
    • 77954214663 scopus 로고
    • The calculation of NMR and EPR parameters using density functional theory
    • (J. M. Seminario and P. Politzer, Eds.), Elsevier, Amsterdam
    • V. G. Malkin, O. L. Malkina, L. A. Eriksson, and D. R. Salahub, The calculation of NMR and EPR parameters using density functional theory, in "Theoretical and Computational Chemistry" (J. M. Seminario and P. Politzer, Eds.), pp. 273-347, Elsevier, Amsterdam (1995).
    • (1995) Theoretical and Computational Chemistry , pp. 273-347
    • Malkin, V.G.1    Malkina, O.L.2    Eriksson, L.A.3    Salahub, D.R.4
  • 21
    • 0000814728 scopus 로고
    • Nuclear magnetic resonance shielding tensors calculated with sum-over-states density functional perturbation theory
    • V. G. Malkin, O. L. Malkina, M. E. Casida, and D. R. Salahub, Nuclear magnetic resonance shielding tensors calculated with sum-over-states density functional perturbation theory, J. Am. Chem. Soc. 116, 5898-5908 (1994).
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 5898-5908
    • Malkin, V.G.1    Malkina, O.L.2    Casida, M.E.3    Salahub, D.R.4
  • 22
    • 0000572756 scopus 로고
    • The IGLO-method: Ab-initio calculation and interpretation of NMR chemical shifts and magnetic susceptibilities
    • W. Kutzelnigg, U. Fleischer, and M. Schindler, The IGLO-method: Ab-initio calculation and interpretation of NMR chemical shifts and magnetic susceptibilities, NMR Basic Principles Progress 23, 167-262 (1990).
    • (1990) NMR Basic Principles Progress , vol.23 , pp. 167-262
    • Kutzelnigg, W.1    Fleischer, U.2    Schindler, M.3
  • 24
    • 1242268874 scopus 로고    scopus 로고
    • A comparison of models for calculating nuclear magnetic resonance shielding tensors
    • J. R. Cheeseman, G. W. Trucks, T. A. Keith, and M. J. Frish, A comparison of models for calculating nuclear magnetic resonance shielding tensors, J. Chem. Phys. 104, 5497-5509 (1996).
    • (1996) J. Chem. Phys. , vol.104 , pp. 5497-5509
    • Cheeseman, J.R.1    Trucks, G.W.2    Keith, T.A.3    Frish, M.J.4
  • 25
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • A. D. Becke, Density-functional thermochemistry. III. The role of exact exchange, J. Chem. Phys. 98, 5648-5652 (1992).
    • (1992) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 26
    • 26344435738 scopus 로고
    • Fully optimized contracted Gaussian basis sets for atoms Li to Kr
    • A. Schäfer, H. Horn, and R. Ahlrichs, Fully optimized contracted Gaussian basis sets for atoms Li to Kr, J. Chem. Phys. 97, 2571-2577 (1992).
    • (1992) J. Chem. Phys. , vol.97 , pp. 2571-2577
    • Schäfer, A.1    Horn, H.2    Ahlrichs, R.3
  • 27
    • 0000449102 scopus 로고    scopus 로고
    • 13 C chemical shifts in anhydrodeoxythymidines
    • 13 C chemical shifts in anhydrodeoxythymidines, J. Phys. Chem. A 103, 4089-4093 (1999).
    • (1999) J. Phys. Chem. A , vol.103 , pp. 4089-4093
    • Czernek, J.1    Sklenář, V.2
  • 28
    • 0032831965 scopus 로고    scopus 로고
    • Quantitative estimation of magnitude and orientation of CSA tensor from field dependence of longitudinal NMR relaxation rates
    • P. Damberg, J. Jarvet, P. Allard, and A. Gräslund, Quantitative estimation of magnitude and orientation of CSA tensor from field dependence of longitudinal NMR relaxation rates, J. Biomol. NMR 15, 27-37 (1999).
    • (1999) J. Biomol. NMR , vol.15 , pp. 27-37
    • Damberg, P.1    Jarvet, J.2    Allard, P.3    Gräslund, A.4
  • 30
    • 0029847611 scopus 로고    scopus 로고
    • RNA folding topology and intermolecular contacts in the AMP-RNA aptamer complex
    • F. Jiang, R. Fiala, D. Live, R. A. Kumar, and D. J. Patel, RNA folding topology and intermolecular contacts in the AMP-RNA aptamer complex, Biochemistry 35, 13250-13266 (1996).
    • (1996) Biochemistry , vol.35 , pp. 13250-13266
    • Jiang, F.1    Fiala, R.2    Live, D.3    Kumar, R.A.4    Patel, D.J.5
  • 32
    • 0032511359 scopus 로고    scopus 로고
    • 15 N chemical shift anisotropy relaxation interference: Unambiguous determination of rotational diffusion tensors and chemical exchange effects in biological macromolecules
    • 15 N chemical shift anisotropy relaxation interference: Unambiguous determination of rotational diffusion tensors and chemical exchange effects in biological macromolecules, J. Am. Chem. Soc. 120, 7905-7915 (1998).
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 7905-7915
    • Kroenke, C.D.1    Loria, J.P.2    Lee, L.K.3    Rance, M.4    Palmer A.G. III5
  • 33
    • 0000068433 scopus 로고
    • Nuclear magnetic shielding of nitrogen in ammonia
    • C. J. Jameson and A. C. de Dios, Nuclear magnetic shielding of nitrogen in ammonia, J. Chem. Phys. 95, 1069-1079 (1991).
    • (1991) J. Chem. Phys. , vol.95 , pp. 1069-1079
    • Jameson, C.J.1    De Dios, A.C.2


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