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Titolo:
2D relayed anisotropy correlation NMR: Characterization of the C-13 ' chemical shift tensor orientation in the peptide plane of the dipeptide AibAib
Autore:
Heise, B; Leppert, J; Wenschuh, H; Ohlenschlager, O; Gorlach, M; Ramachandran, R;
Indirizzi:
NMR Spekt, Abt Mol Biophys, Inst Mol Biotechnol, D-07708 Jena, Germany NMRSpekt Jena Germany D-07708 nst Mol Biotechnol, D-07708 Jena, Germany Jerini Bio Tools GmbH, D-12489 Berlin, Germany Jerini Bio Tools GmbH Berlin Germany D-12489 bH, D-12489 Berlin, Germany
Titolo Testata:
JOURNAL OF BIOMOLECULAR NMR
fascicolo: 2, volume: 19, anno: 2001,
pagine: 167 - 179
SICI:
0925-2738(200102)19:2<167:2RACNC>2.0.ZU;2-B
Fonte:
ISI
Lingua:
ENG
Soggetto:
NUCLEAR-MAGNETIC-RESONANCE; SOLID-STATE NMR; ECHO DOUBLE-RESONANCE; DIHEDRAL ANGLE-PSI; ROTATING SOLIDS; PEPTAIBOL ANTIBIOTICS; MEMBRANE-PROTEINS; POWDER PATTERNS; DIPOLAR SPECTRA; MAS NMR;
Keywords:
carbonyl chemical shift tensors; MAS; relayed anisotropy correlation; solid state NMR;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Citazioni:
64
Recensione:
Indirizzi per estratti:
Indirizzo: Ramachandran, R NMR Spekt, Abt Mol Biophys, Inst Mol Biotechnol, Postfach 100813, D-07708 Jena, Germany NMR Spekt Postfach 100813 Jena Germany D-07708 a, Germany
Citazione:
B. Heise et al., "2D relayed anisotropy correlation NMR: Characterization of the C-13 ' chemical shift tensor orientation in the peptide plane of the dipeptide AibAib", J BIOM NMR, 19(2), 2001, pp. 167-179

Abstract

An approach to the determination of the orientation of the carbonyl chemical shift (CS) tensor in a C-13'-N-15-H-1 dipolar coupled spin network is proposed. The method involves the measurement of the Euler angles of the C-13'-N-15 and N-15-H-1 dipolar vectors in the C-13' CS tensor principal axes system, respectively, via a C-13-N-15 REDOR experiment and by a 2D relayed anisotropy correlation of the C-13' CSA (omega (2)) and N-15-H-1 dipolar interaction (omega (1)). Via numerical simulations the sensitivity of the omega (1) cross sections of the 2D spectrum to the Euler angles of the N-15-H-1bond vector in the C-13' CSA frame is shown. Employing the procedure outlined in this work, we have determined the orientation of the C-13' CS tensorin the peptide plane of the dipeptide AibAib-NH2 (Aib = alpha -aminoisobutyric acid). The Euler angles are found to be (chi (CN), psi (CN)) = (34 degrees +/- 2 degrees, 88 degrees +/- 2 degrees ) and (chi (NH), psi (NH)) = (90 degrees +/- 10 degrees, 80 degrees +/- 10 degrees ). From the measured Euler angles it is seen that the sigma (33) and sigma (22) components of theC-13' CS tensor approximately lie in the peptide plane.

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Documento generato il 28/03/20 alle ore 23:41:11