I. Conformational analysis of cyclic peptides. II. Multinuclear NMR spectrometer for the study of biological systems

Technical Report · Thu Nov 01 04:00:00 UTC 1979

OSTI ID:5773812

Shih, W C.W.

A systematic approach to the employment of /sup 1/H NMR data to the analysis of the solution conformations of small polypeptides is outlined. Two-dimensional homonuclear J-spectra along with the corresponding 45/sup 0/ projections and contour maps simplify the task of homonuclear decoupling experiments, and the assignments of lines is made very straightforward. The vicinal couplings that are likely to vary as the conformation changes are then examine. Spectrum simulations coupled with x-ray data for model systems allow the formulation of Karplus relationships for the vicinal couplings, and solution conformations may then by inferred. This approach to conformational analysis was applied to an examination of the metal affinities of two cyclopeptides. The NMR data revealed that the metal affinities of the two differ as a result of the different orientation of both carbonyl groups. Part II describes the design approach, major construction details, and the test characterization procedures associated with the construction of a broadband multinuclear NMR spectrometer system. The design emphasis was on incorporating features that would be useful for biological experiments. Summaries of original designs are included with schematic documentation.

• Research Organization: California Univ., Berkeley (USA). Lawrence Berkeley Lab.
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 5773812
• Report Number(s): LBL-10097
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400103* -- Radiometric & Radiochemical Procedures-- (-1987)
400104 -- Spectral Procedures-- (-1987)
440103 -- Radiation Instrumentation-- Nuclear Spectroscopic Instrumentation
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY
550200 -- Biochemistry
59 BASIC BIOLOGICAL SCIENCES
COHERENT SCATTERING
DATA
DATA FORMS
DESIGN
DIFFRACTION
INFORMATION
MAGNETIC RESONANCE
MEASURING INSTRUMENTS
NMR SPECTROMETERS
NUCLEAR MAGNETIC RESONANCE
NUMERICAL DATA
ORGANIC COMPOUNDS
PEPTIDES
POLYPEPTIDES
PROTEINS
RESONANCE
SCATTERING
SPECTRA
SPECTROMETERS
STRUCTURAL CHEMICAL ANALYSIS
TESTING
X-RAY DIFFRACTION