Related ArticlesSite-Specific Internal Motions in GB1 Protein Microcrystals Revealed by 3D (2)H-(13)C-(13)C Solid-State NMR Spectroscopy.
J Am Chem Soc. 2016 Feb 5;
Authors: Shi X, Rienstra CM
Abstract
(2)H quadrupolar line shapes deliver rich information about protein dynamics. A newly designed 3D (2)H-(13)C-(13)Csolid-state NMR magic angle spinning (MAS) experiment is presented and demonstrated on the microcrystalline ?1 immunoglobulin binding domain of protein G (GB1). The implementation of (2)H-(13)C adiabatic rotor-echo-short-pulse-irradiation cross polarization (RESPIRATION CP) ensures the accuracy of the extracted line shapes and provides enhanced sensitivity relative to conventional CP methods. The 3D (2)H-(13)C-(13)C spectrum reveals 2H line shapes for 140 resolved aliphatic deuterium sites. Motional averaged (2)H quadrupolar parameters obtained from the line shape fitting identify side chain motions. Restricted side chain dynamics are observed for a number of polar residues including K13, D22, E27, K31, D36, N37, D46, D47, K50, and E56, which we attribute to the effects of salt bridges and hydrogen bonds. In contrast, we observe significantly enhanced side chain flexibility for Q2, K4, K10, E15, E19, N35, N40, and E42, due to solvent exposure and low packing density. T11, T16 and T17 side chains exhibit motions with larger amplitudes than other Thr residues due to solvent interactions. The side chains of L5, V54 and V29 are highly rigid because they are packed in the core of the protein.High correlations were demonstrated between GB1 side chain dynamics and its biological function. Large-amplitude side chain motions are observed for regions contacting and interacting with immunoglobulin G (IgG). In contrast, rigid side chains are primarily found for residues in the structural core of the protein that are absent from protein binding and interactions.
PMID: 26849428 [PubMed - as supplied by publisher]
Protonation States of the Tryptophan Synthase Internal Aldimine Active Site from Solid-State NMR Spectroscopy: Direct Observation of the Protonated Schiff Base Linkage to Pyridoxal-5?-Phosphate
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Bethany G. Caulkins, Baback Bastin, Chen Yang, Thomas J. Neubauer, Robert P. Young, Eduardo Hilario, Yu-ming M. Huang, Chia-en A. Chang, Li Fan, Michael F. Dunn, Michael J. Marsella and Leonard J. Mueller
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja506267d/aop/images/medium/ja-2014-06267d_0003.gif
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[NMR paper] Site-specific identification of an a? fibril-heparin interaction site by using solid-state NMR spectroscopy.
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http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--media.wiley.com-assets-2250-98-WileyOnlineLibrary-Button_120x27px_FullText.gif Related Articles Site-specific identification of an a? fibril-heparin interaction site by using solid-state NMR spectroscopy.
Angew Chem Int Ed Engl. 2012 Dec 21;51(52):13140-3
Authors: Madine J, Pandya MJ, Hicks MR, Rodger A, Yates EA, Radford SE, Middleton DA
Abstract
At the...
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[NMR paper] Automated solid-state NMR resonance assignment of protein microcrystals and amyloids.
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J Biomol NMR. 2013 May 21;
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Abstract
Solid-state NMR is an emerging structure determination technique for crystalline and non-crystalline protein assemblies, e.g., amyloids. Resonance assignment constitutes the first and often very...
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Biophys J. 2011 Aug 3;101(3):L23-L25
Authors: Wang S, Shi L, Kawamura I, Brown LS, Ladizhansky V
Solid-state NMR spectroscopy is an efficient tool for following conformational dynamics of membrane proteins at atomic resolution. We used this technique for the site-specific...
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Biochemistry. 1997 Jan 28;36(4):699-710
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[NMR paper] Phosphotransfer site of the chemotaxis-specific protein kinase CheA as revealed by NM
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Biochemistry. 1997 Jan 28;36(4):699-710
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Site-Specific Internal Motions in GB1 Protein Microcrystals Revealed by 3D (2)H-(13)C-(13)C Solid-State NMR Spectroscopy.
Linear Mode
