PMID: 9187651Jun 1, 1997Paper

Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy

Nature Structural Biology
N TjandraG M Clore

Abstract

Structure determination by NMR presently relies on short range restraints between atoms in close spatial proximity, principally in the form of short (< 5 A) interproton distances. In the case of modular or multidomain proteins and linear nucleic acids, the density of short interproton distance contacts between structural elements far apart in the sequence may be insufficient to define their relative orientations. In this paper we show how the dependence of heteronuclear longitudinal and transverse relaxation times on the rotational diffusion anisotropy of non-spherical molecules can be readily used to directly provide restraints for simulated annealing structure refinement that characterize long range order a priori. The method is demonstrated using the N-terminal domain of Enzyme I,a protein of 259 residues comprising two distinct domains with a diffusion anisotropy(Dparallel/Dperpendicular)of approximately 2.

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Citations

Dec 29, 1998·Protein Science : a Publication of the Protein Society·Z BuD M Engelman
Dec 7, 2005·Journal of Biomolecular NMR·Felician Dancea, Ulrich Günther
Jun 8, 2007·Journal of Biomolecular NMR·Nico TjandraShou-Lin Chang
Aug 27, 2013·Journal of Biomolecular NMR·David BernardPierre Lavigne
Oct 31, 2013·Journal of Biomolecular NMR·Konstantin BerlinDavid Fushman
Dec 4, 2002·Journal of Molecular Biology·Silke WiesnerMaria J Macias
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Feb 27, 1999·Current Opinion in Biotechnology·G C Roberts
Apr 18, 2002·Current Opinion in Structural Biology·G Marius Clore, Charles D Schwieters
Nov 5, 1997·Current Opinion in Structural Biology·L E Kay, K H Gardner
Nov 5, 1997·Current Opinion in Structural Biology·A G Palmer
Feb 5, 2003·Journal of Magnetic Resonance·Charles D SchwietersG Marius Clore
Nov 18, 1998·Current Opinion in Chemical Biology·G M Clore, A M Gronenborn
Mar 16, 2006·Journal of the American Chemical Society·Jianhan ChenCharles L Brooks
Jun 7, 2007·Journal of the American Chemical Society·Yaroslav Ryabov, David Fushman
Dec 4, 2009·Journal of the American Chemical Society·Jianxi Xiao, Jean Baum
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