Here we report two phase modulated NMR experiments: PM-2D HN(CACBHB) and PM-2D HN(HB), that use ¹H^(?) chemical shifts to rapidly identify amino acid type in proteins. The magnetization on the ¹H^(?) spins during the experiments is allowed to evolve for a fixed evolution period that results in phase modulation (positive or negative) of the cross peaks corresponding to various amino acid residues on their 2D HN projections, resembling a typical 2D [¹H-^(15)N]-HSQC spectrum. All amino acids except...
[NMR paper] 6-Strand to Stable 10/12 Helix Conformational Switch by Incorporating Flexible beta-hGly in the Homooligomers of Camphor Derived beta-Amino Acid: NMR and X-ray Crystallographic Evidence
6-Strand to Stable 10/12 Helix Conformational Switch by Incorporating Flexible beta-hGly in the Homooligomers of Camphor Derived beta-Amino Acid: NMR and X-ray Crystallographic Evidence
Rational design of unnatural amino acid building blocks capable of stabilizing predictable secondary structures similar to protein fragments is pivotal for foldamer chemistry/catalysis. Here, we introduce novel ?-amino acid building blocks: exoCDA and endoCDA, derived from the abundantly available R(+)-camphor, which is traditionally known for its medicinal value. Further, we demonstrate that the...
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[NMR paper] Chemical shift-based methods in NMR structure determination.
Chemical shift-based methods in NMR structure determination.
Related Articles Chemical shift-based methods in NMR structure determination.
Prog Nucl Magn Reson Spectrosc. 2018 Jun - Aug;106-107:1-25
Authors: Nerli S, McShan AC, Sgourakis NG
Abstract
Chemical shifts are highly sensitive probes harnessed by NMR spectroscopists and structural biologists as conformational parameters to characterize a range of biological molecules. Traditionally, assignment of chemical shifts has been a labor-intensive process requiring numerous...
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05-06-2019 04:47 PM
Chemical shift-based methods in NMR structure determination
Chemical shift-based methods in NMR structure determination
Publication date: June–August 2018
Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volumes 106–107</br>
Author(s): Santrupti Nerli, Andrew C. McShan, Nikolaos G. Sgourakis</br>
Chemical shifts are highly sensitive probes harnessed by NMR spectroscopists and structural biologists as conformational parameters to characterize a range of biological molecules. Traditionally, assignment of chemical shifts has been a labor-intensive process requiring numerous samples and a suite of...
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04-14-2018 01:49 PM
[NMR paper] Rapid Identification of Amino Acid types in Proteins using phase modulated 2D HN(CACB) and 2D HN(COCACB)
Rapid Identification of Amino Acid types in Proteins using phase modulated 2D HN(CACB) and 2D HN(COCACB)
Publication date: Available online 7 April 2016
Source:Journal of Magnetic Resonance</br>
Author(s): Abhinav Dubey, Somnath Mondal, Kousik Chandra, Hanudatta S. Atreya</br>
We present a simple approach to rapidly identify amino acid types in proteins from a 2D spectrum. The method is based on the fact that 13C? chemical shifts of different amino acid types fall in distinct spectral regions. By evolving the 13C chemical shifts in the conventional HNCACB or...
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04-08-2016 01:05 PM
Paramagnetic relaxation enhancement of membrane proteins by incorporation of the metal-chelating unnatural amino acid 2-amino-3-(8-hydroxyquinolin-3-yl)propanoic acid (HQA)
Paramagnetic relaxation enhancement of membrane proteins by incorporation of the metal-chelating unnatural amino acid 2-amino-3-(8-hydroxyquinolin-3-yl)propanoic acid (HQA)
Abstract
The use of paramagnetic constraints in protein NMR is an active area of research because of the benefits of long-range distance measurements (>10Â*Ã?). One of the main issues in successful execution is the incorporation of a paramagnetic metal ion into diamagnetic proteins. The most common metal ion tags are relatively long aliphatic chains attached to the side chain of a...
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11-28-2014 11:37 AM
[NMR paper] Practical use of chemical shift databases for protein solid-state NMR: 2D chemical shift maps and amino-acid assignment with secondary-structure information.
Practical use of chemical shift databases for protein solid-state NMR: 2D chemical shift maps and amino-acid assignment with secondary-structure information.
Practical use of chemical shift databases for protein solid-state NMR: 2D chemical shift maps and amino-acid assignment with secondary-structure information.
J Biomol NMR. 2013 Apr 28;
Authors: Fritzsching KJ, Yang Y, Schmidt-Rohr K, Hong M
Abstract
We introduce a Python-based program that utilizes the large database of (13)C and (15)N chemical shifts in the Biological Magnetic...
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04-30-2013 10:21 PM
New amino acid residue type identification experiments valid for protonated and deuterated proteins
New amino acid residue type identification experiments valid for protonated and deuterated proteins
Abstract Two experiments are presented that yield amino acid type identification of individual residues in a protein by editing the 1Hâ??15N correlations into four different 2D subspectra, each corresponding to a different amino acid type class, and that can be applied to deuterated proteins. One experiment provides information on the amino acid type of the residue preceding the detected amide 1Hâ??15N correlation, while the other gives information on the type of its own residue. Versions...
(1)H(beta) chemical shift-based phase modulated NMR methods for fast identification of amino acid types in proteins
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