Determination of a precise interatomic distance in a helical peptide by REDOR NMR

Journal Article · Wed Jan 31 04:00:00 EST 1990 · Journal of the American Chemical Society; (USA)

DOI:https://doi.org/10.1021/ja00159a009· OSTI ID:6829662

Marshall, G R; Beusen, D D; Kociolek, K; Redlinski, A S; Leplawy, M T ^[1]; Pan, Yong; Schaefer, J ^[2]

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1. Washington School of Medicine, St. Louis, MO (USA)
2. Washington Univ., St. Louis, MO (USA)

A new spectroscopic technique, rotational-echo double-resonance (REDOR) NMR, for solids utilizes magic-angle spinning and measures directly the dipolar coupling between stable-isotope-labeled nuclei and, thus, interatomic distances. REDOR has been used to measure the {sup 13}C-{sup 15}N interatomic distance in a nine-residue fragment, Ac-Phe-MeA(1-{sup 13}C)-MeA(d{sub 6})-MeA-Val-Gly({sup 15}N)-Leu-MeA-MeA-OBzl (MeA = {alpha}-methylalanine or aminoisobutyric acid (Aib)), of the peptide antibiotic emerimicin. The crystal structure of the peptide emerimicin 1-9 benzyl ester was determined previously, and the measurement by REDOR of a known interatomic distance allows both validation and a practical demonstration of the precision of REDOR. The ability to map precisely intermolecular distances suggests applications of REDOR in the solid, or aggregated state, for determinations of the conformations of ligand molecules in drug-receptor, inhibitor-enzyme, and antigen-antibody complexes.

• OSTI ID: 6829662
• Journal Information: Journal of the American Chemical Society; (USA), Journal Name: Journal of the American Chemical Society; (USA) Vol. 112:3; ISSN 0002-7863; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
550200* -- Biochemistry
59 BASIC BIOLOGICAL SCIENCES
CONFIGURATION
DATA
DATA ANALYSIS
DISTANCE
EXPERIMENTAL DATA
HELICAL CONFIGURATION
INFORMATION
INTERATOMIC DISTANCES
MEASURING INSTRUMENTS
MEASURING METHODS
NMR SPECTRA
NUMERICAL DATA
ORGANIC COMPOUNDS
PEPTIDES
PROTEINS
SPECTRA