PMID: 8953218Oct 1, 1996Paper

Anisotropic rotational diffusion of perdeuterated HIV protease from 15N NMR relaxation measurements at two magnetic fields

Journal of Biomolecular NMR
N TjandraA Bax

Abstract

15N NMR relaxation times in perdeuterated HIV-1 protease, complexed with the sub-nanomolar inhibitor DMP323, have been measured at 600 and 360 MHz 1H frequency. The relative magnitudes of the principal components of the inertia tensor, calculated from the X-ray coordinates of the protein-drug complex, are 1.0:0.85:0.44. The relation between the T1/T2 ratios observed for the individual backbone amides and their N-H orientation within the 3D structure of the protease dimer yields a rotational diffusion tensor oriented nearly collinear to the inertia tensor. The relative magnitudes of its principal components (1.00:1.11:1.42) are also in good agreement with hydrodynamic modeling results. The orientation and magnitude of the diffusion tensors derived from relaxation data obtained at 360 and 600 MHz are nearly identical. The anisotropic nature of the rotational diffusion has little influence on the order parameters derived from the 15N T1 and T2 relaxation times; however, if anisotropy is ignored, this can result in erroneous identification of either exchange broadening or internal motions on a nanosecond time scale. The average ratio of the T1 values measured at 360 and 600 MHz is 0.50 +/- 0.015, which is slightly larger than the v...Continue Reading

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Citations

Jun 8, 2007·Journal of Biomolecular NMR·Nico TjandraShou-Lin Chang
Jul 8, 2009·Journal of Biomolecular NMR·Jun XuNikolai R Skrynnikov
Jun 8, 2002·Journal of Molecular Biology·Stefano PianaMichele Parrinello
Dec 10, 2002·Journal of Molecular Biology·Norma H PawleyLinda K Nicholson
Nov 5, 1997·Current Opinion in Structural Biology·A G Palmer
Jun 7, 2007·Journal of the American Chemical Society·Yaroslav Ryabov, David Fushman
May 25, 2012·The Journal of Physical Chemistry. B·Manoj Kumar PandeyAyyalusamy Ramamoorthy
Oct 5, 2010·Nature Chemical Biology·Larry R MastersonGianluigi Veglia
Jun 15, 2004·Nature Structural & Molecular Biology·Virginie GervaisArnaud Poterszman
Jun 21, 2007·Molecular BioSystems·Edward J d'Auvergne, Paul R Gooley
Apr 8, 2011·Proceedings of the National Academy of Sciences of the United States of America·Larry R MastersonGianluigi Veglia
Sep 25, 1999·Journal of Biomolecular Structure & Dynamics·V Y OrekhovA S Arseniev
Sep 19, 2002·Protein Science : a Publication of the Protein Society·Stefano PianaUrsula Rothlisberger
Nov 5, 1999·Protein Science : a Publication of the Protein Society·M P CrumpB D Sykes
Feb 27, 1999·Protein Science : a Publication of the Protein Society·A M GronenbornP T Wingfield
May 4, 2000·Protein Science : a Publication of the Protein Society·S YaoR S Norton
Jun 13, 2000·Protein Science : a Publication of the Protein Society·G S ThompsonC Redfield
Feb 12, 2014·Journal of Biomolecular NMR·Pavel KadeřávekLukáš Žídek
Jan 15, 2003·Proceedings of the National Academy of Sciences of the United States of America·Jonathan A LukinChien Ho
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Sep 17, 2011·Progress in Nuclear Magnetic Resonance Spectroscopy·Sébastien Morin
Jul 17, 2010·Progress in Nuclear Magnetic Resonance Spectroscopy·Hazime SaitôAyyalusamy Ramamoorthy

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