[NMR paper] Current approaches for integrating solution NMR spectroscopy and small angle scattering to study the structure and dynamics of biomolecular complexes.
Related ArticlesCurrent approaches for integrating solution NMR spectroscopy and small angle scattering to study the structure and dynamics of biomolecular complexes.
J Mol Biol. 2020 Mar 18;:
Authors: Delhommel F, Gabel F, Sattler M
Abstract
The study of complex and dynamic biomolecular assemblies is a key challenge in structural biology and requires the use of multiple methodologies providing complementary spatial and temporal information. NMR spectroscopy is a powerful technique that allows high-resolution structure determination of biomolecules as well as investigating their dynamic properties in solution. However, for high molecular weight systems, such as biomolecular complexes or multi-domain proteins, it is often only possible to obtain sparse NMR data, posing significant challenges to structure determination. Combining NMR data with information obtained from other solution techniques is therefore an attractive approach. The combination of NMR with small angle X-ray and/or neutron scattering (SAXS/SANS) has been shown to be particularly fruitful. These scattering approaches provide low resolution information of biomolecules in solution and reflect ensemble-averaged contributions of dynamic conformations for scattering molecules up to Megadalton molecular weight. Here, we review recent developments in the combination of NMR and SAS experiments. We briefly outline the different types of information that provided by these two approaches. We then discuss computational methods that have been developed to integrate NMR and SAS data, particularly considering the presence of dynamic structural ensembles and flexibility of the investigated biomolecules. Finally, recent examples of the successful combination of NMR and SAS are presented to illustrate the utility of their combination.
PMID: 32199983 [PubMed - as supplied by publisher]
[NMR paper] Structural Characterization of a Flexible Two-Domain Protein in Solution Using Small Angle X-Ray Scattering and NMR Data.
Structural Characterization of a Flexible Two-Domain Protein in Solution Using Small Angle X-Ray Scattering and NMR Data.
Structural Characterization of a Flexible Two-Domain Protein in Solution Using Small Angle X-Ray Scattering and NMR Data.
Structure. 2014 Nov 6;22(12):1862-1874
Authors: Lemak A, Wu B, Yee A, Houliston S, Lee HW, Gutmanas A, Fang X, Garcia M, Semesi A, Wang YX, Prestegard JH, Arrowsmith CH
Abstract
Multidomain proteins in which individual domains are connected by linkers often possess inherent...
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12-03-2014 04:05 PM
Structural Characterization of a Flexible Two-Domain Protein in Solution Using Small Angle X-Ray Scattering and NMR Data
Structural Characterization of a Flexible Two-Domain Protein in Solution Using Small Angle X-Ray Scattering and NMR Data
Publication date: Available online 6 November 2014
Source:Structure</br>
Author(s): Alexander Lemak , Bin Wu , Adelinda Yee , Scott Houliston , Hsiau-Wei Lee , Aleksandras Gutmanas , Xianyang Fang , Maite Garcia , Anthony Semesi , Yun-Xing Wang , James*H. Prestegard , Cheryl*H. Arrowsmith</br>
Multidomain proteins in which individual domains are connected by linkers often possess inherent interdomain flexibility that significantly...
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11-07-2014 09:09 AM
Using Small Angle Solution Scattering Data in Xplor-NIH Structure Calculations
Using Small Angle Solution Scattering Data in Xplor-NIH Structure Calculations
Publication date: Available online 3 April 2014
Source:Progress in Nuclear Magnetic Resonance Spectroscopy</br>
Author(s): Charles D. Schwieters , G. Marius Clore</br>
This contribution describes the use of small and wide angle X-ray and small angle neutron scattering for biomolecular structure calculation using the program Xplor-NIH, both with and without NMR data. The current algorithms used for calculating scattering curves are described, and the use of scattering data as a...
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04-04-2014 01:19 PM
[NMR paper] The Dynamic Duo: Combining NMR and Small Angle Scattering in Structural Biology.
The Dynamic Duo: Combining NMR and Small Angle Scattering in Structural Biology.
The Dynamic Duo: Combining NMR and Small Angle Scattering in Structural Biology.
Protein Sci. 2014 Mar 29;
Authors: Hennig J, Sattler M
Abstract
Structural biology provides essential information for elucidating molecular mechanisms that underlie biological function. Advances in hardware, sample preparation, experimental methods and computational approaches now enable structural analysis of protein complexes with increasing complexity that more...
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04-02-2014 11:54 PM
[NMR paper] Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.
Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.
Related Articles Predictive Atomic Resolution Descriptions of Intrinsically Disordered hTau40 and ?-Synuclein in Solution from NMR and Small Angle Scattering.
Structure. 2013 Dec 18;
Authors: Schwalbe M, Ozenne V, Bibow S, Jaremko M, Jaremko L, Gajda M, Jensen MR, Biernat J, Becker S, Mandelkow E, Zweckstetter M, Blackledge M
Abstract
The development of molecular descriptions of intrinsically...
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12-24-2013 01:04 PM
NMR and Small Angle Scattering-based structural analysis of protein complexes in solu
NMR and Small Angle Scattering-based structural analysis of protein complexes in solution.
Related Articles NMR and Small Angle Scattering-based structural analysis of protein complexes in solution.
J Struct Biol. 2010 Nov 10;
Authors: Madl T, Gabel F, Sattler M
Structural analysis of multi-domain protein complexes is a key challenge in current biology and a prerequisite for understanding the molecular basis of essential cellular processes. The use of solution techniques is important for characterizing the quaternary arrangements and dynamics of...
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11-16-2010 04:13 PM
A structure refinement protocol combining NMR residual dipolar couplings and small angle scattering restraints
A structure refinement protocol combining NMR residual dipolar couplings and small angle scattering restraints
F. Gabel, B. Simon, M. Nilges, M. Petoukhov, D. Svergun and M. Sattler
Journal of Biomolecular NMR; 2008; 41(4); pp 199-208
Abstract:
We present the implementation of a target function based on Small Angle Scattering data (Gabel et al. Eur Biophys J 35(4):313–327, 2006) into the Crystallography and NMR Systems (CNS) and demonstrate its utility in NMR structure calculations by simultaneous application of small angle scattering (SAS) and residual dipolar coupling (RDC)...
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09-21-2008 11:30 PM
Multidomain Protein Structures from NMR & Solution Small-Angle X-ray Scattering
http://pubs.acs.org/isubscribe/journals/jacsat/127/i47/figures/ja054342mn00001.gif
Refinement of Multidomain Protein Structures by Combination of Solution Small-Angle X-ray Scattering and NMR Data
Alexander Grishaev,* Justin Wu, Jill Trewhella, and Ad Bax*
Contribution from the Laboratory of Chemical Physics, NIDDK, National Institutes of Health, Bethesda, Maryland 20892-0520, Department of Biochemistry, The Ohio State University, Columbus, Ohio 43210, and Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850
J. Am. Chem. Soc.; 2005; 127(47) pp 16621 -...
Current approaches for integrating solution NMR spectroscopy and small angle scattering to study the structure and dynamics of biomolecular complexes.
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