New NMR Methods for the Characterization of Bound Waters in Macromolecules

Richard W. Kriwacki, R. Blake Hill, John P. Caradonna, James H. Prestegard, John Flanagan

Research output: Contribution to journalArticle

64 Citations (Scopus)

Abstract

The study of water molecules which are associated with macromolecules, either at the surface or buried within the interior, is important because these waters play significant structural, catalytic, and/or recognition roles. We demonstrate new NMR techniques that will allow the determination of the lifetimes of certain bound water molecules. These techniques employ (i) pulsed field gradients (PFG) for diffusion editing, (ii) isotope editing for selective detection and solvent suppression, and (iii) selective excitation for efficiency of acquisition. Using a uniformly 15 N-labeled fragment of the Escherichia coli chaperone protein, DnaJ, we show that a range of exchange lifetimes is observed for protons that physically exchange between water and amide sites. These methods will similarly allow the differentiation of bound water molecules on the basis of their lifetimes in the bound state and will be of general utility in the future for detailed studies of the dynamics of bound waters that have lifetimes in the 100 µs to 10 ms range.

Original languageEnglish (US)
Pages (from-to)8907-8911
Number of pages5
JournalJournal of the American Chemical Society
Volume115
Issue number20
DOIs
StatePublished - Oct 1 1993

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Macromolecules
Nuclear magnetic resonance
Water
Molecules
Ion exchange
HSP40 Heat-Shock Proteins
Escherichia coli Proteins
Amides
Isotopes
Escherichia coli
Protons
Proteins

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Kriwacki, Richard W. ; Hill, R. Blake ; Caradonna, John P. ; Prestegard, James H. ; Flanagan, John. / New NMR Methods for the Characterization of Bound Waters in Macromolecules. In: Journal of the American Chemical Society. 1993 ; Vol. 115, No. 20. pp. 8907-8911.
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New NMR Methods for the Characterization of Bound Waters in Macromolecules. / Kriwacki, Richard W.; Hill, R. Blake; Caradonna, John P.; Prestegard, James H.; Flanagan, John.

In: Journal of the American Chemical Society, Vol. 115, No. 20, 01.10.1993, p. 8907-8911.

Research output: Contribution to journalArticle

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