NMR detection of side chain-side chain hydrogen bonding interactions in 13C/15N-labeled proteins

A. Liu, W. Hu, A. Majumdar, M. K. Rosen, D. J. Patel

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

We describe the direct observation of side chain-side chain hydrogen bonding interactions in proteins with sensitivity-enhanced NMR spectroscopy. Specifically, the remote correlation between the guanidinium nitrogen 15N(ε) of arginine 71, which serves as the hydrogen donor, and the acceptor carboxylate carbon 13CO2(γ) of aspartate 100 in a 12 kDa protein, human FKBP12, is detected via the trans-hydrogen bond (3h)J(NεCO2γ) coupling by employing a novel HNCO-type experiment, soft CPD-HNCO. The (3h)J(NεCO2γ) coupling constant appears to be even smaller than the average value of backbone (3h)J(NC') couplings, consistent with more extensive local dynamics in protein side chains. 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.

Original languageEnglish (US)
Pages (from-to)305-310
Number of pages6
JournalJournal of Biomolecular NMR
Volume17
Issue number4
DOIs
StatePublished - 2000

Fingerprint

Hydrogen Bonding
Hydrogen bonds
Nuclear magnetic resonance
Hydrogen
Proteins
Tacrolimus Binding Protein 1A
Protein Stability
Guanidine
Aspartic Acid
Arginine
Catalytic Domain
Magnetic Resonance Spectroscopy
Nitrogen
Carbon
Nuclear magnetic resonance spectroscopy
Observation
Enzymes
Monitoring
Experiments

Keywords

  • FKBP12
  • NMR detection
  • Sensitivity enhancement
  • Side chain-side chain hydrogen bonds

ASJC Scopus subject areas

  • Spectroscopy
  • Biochemistry, Genetics and Molecular Biology(all)
  • Biochemistry

Cite this

NMR detection of side chain-side chain hydrogen bonding interactions in 13C/15N-labeled proteins. / Liu, A.; Hu, W.; Majumdar, A.; Rosen, M. K.; Patel, D. J.

In: Journal of Biomolecular NMR, Vol. 17, No. 4, 2000, p. 305-310.

Research output: Contribution to journalArticle

Liu, A. ; Hu, W. ; Majumdar, A. ; Rosen, M. K. ; Patel, D. J. / NMR detection of side chain-side chain hydrogen bonding interactions in 13C/15N-labeled proteins. In: Journal of Biomolecular NMR. 2000 ; Vol. 17, No. 4. pp. 305-310.
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