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Isotope effects on chemical shifts of proteins and peptides
Author(s) -
Hansen Poul Erik
Publication year - 2000
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(200001)38:1<1::aid-mrc594>3.0.co;2-4
Subject(s) - chemistry , kinetic isotope effect , isotope , δ13c , stable isotope ratio , chemical shift , isotopes of carbon , carbon 13 nmr , stable isotope labeling by amino acids in cell culture , carbon 13 , computational chemistry , deuterium , stereochemistry , organic chemistry , biochemistry , proteomics , physics , quantum mechanics , total organic carbon , gene
Isotope effects on chemical shifts, n Δ 13 C( D ), n Δ 1 H( D ), 1 Δ 15 N( D ) and 1 Δ 13 C( 18 O), and solvent isotope effects in proteins are reviewed and references are provided to related cases. The isotope effects included are motivated by the effects occurring in perdeuterated proteins and effects of 13 C and 15 N labelling combined with effects of an H 2 O– D 2 O mixture. The focus is on structural information. The following isotope effects depend on structure: 1 Δ 15 N( D ), 1 Δ 13 C( D ), 2 Δ 13 C–α(N D ), 3 Δ 13 C–α(N D ) and 3 Δ 13 C–β(N D ). Equilibrium isotope effects on chemical shifts are briefly discussed by the elegant use of 1 Δ 13 C( 18 O) and 1 Δ 13 C( 15 N) in the determination of p K a values. Ab initio calculations of isotope effects show promise both in traditional cases and for describing the new type of isotope effects observed in paramagnetic proteins. Copyright © 2000 John Wiley & Sons, Ltd.