Peptides and proteins containing non-canonical amino acids (ncAAs) are a large and important class of biopolymers. They include non-ribosomally synthesised peptides, post-translationally modified proteins, expressed or synthesised proteins containing unnatural amino acids, and peptides and proteins that are chemically modified. Here, we describe a general procedure for generating atomic descriptions required to incorporate ncAAs within popular NMR structure determination software such as CYANA,...
Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction
Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction
Abstract
A single experimental method alone often fails to provide the resolution, accuracy, and coverage needed to model integral membrane proteins (IMPs). Integrating computation with experimental data is a powerful approach to supplement missing structural information with atomic detail. We combine RosettaNMR with experimentally-derived paramagnetic NMR restraints to guide membrane protein...
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04-05-2023 05:15 PM
[NMR paper] Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction
Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction
A single experimental method alone often fails to provide the resolution, accuracy, and coverage needed to model integral membrane proteins (IMPs). Integrating computation with experimental data is a powerful approach to supplement missing structural information with atomic detail. We combine RosettaNMR with experimentally-derived paramagnetic NMR restraints to guide membrane protein structure prediction. We demonstrate this approach...
[NMR paper] Chiral discrimination of ?-hydroxy acids and N-Ts-?-amino acids induced by tetraaza macrocyclic chiral solvating agents by using (1)H NMR spectroscopy.
Chiral discrimination of ?-hydroxy acids and N-Ts-?-amino acids induced by tetraaza macrocyclic chiral solvating agents by using (1)H NMR spectroscopy.
Related Articles Chiral discrimination of ?-hydroxy acids and N-Ts-?-amino acids induced by tetraaza macrocyclic chiral solvating agents by using (1)H NMR spectroscopy.
Org Biomol Chem. 2017 Jan 27;:
Authors: Lv C, Feng L, Zhao H, Wang G, Stavropoulos P, Ai L
Abstract
In the field of chiral recognition, reported chiral discrimination by (1)H NMR spectroscopy has mainly focused on...
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01-28-2017 08:29 PM
[NMR paper] Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids.
Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids.
Related Articles Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids.
J Biomol NMR. 2016 Apr 29;
Authors: Proudfoot A, Frank AO, Ruggiu F, Mamo M, Lingel A
Abstract
The deuteration of proteins and selective labeling of side chain methyl groups has greatly enhanced the molecular weight range of proteins...
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05-01-2016 10:32 PM
Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids
Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids
Abstract
The deuteration of proteins and selective labeling of side chain methyl groups has greatly enhanced the molecular weight range of proteins and protein complexes which can be studied using solution NMR spectroscopy. Protocols for the selective labeling of all six methyl group containing amino acids individually are available, however to date, only a maximum of five amino acids have been labeled...
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04-30-2016 09:26 AM
[Question from NMRWiki Q&A forum] 13C cuaternary centers in amino acids
13C cuaternary centers in amino acids
I've got a sample of about 5mg of an amino acid that is the final product of a a synthesis. Due to the long relaxation time that the carboxilic and the alpha C we only got a 200 varian Mercury instrument and we're unable to obtain those signals. I was wondering if an APT is better than DEPT, because we're only interested in this signals and i've heart the overall pulse sequence is shorter than the DEPT, increasing the number of scans in the same period of time
Check if somebody has answered this question on NMRWiki QA forum
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08-31-2011 07:12 PM
[KPWU blog] Names of Atoms of Amino acids
Names of Atoms of Amino acids
I really hate the inconsistent nomenclature of atoms of amino acids between different programs/database. I finished all NOESY assignment on Sparky using PDB nomenclature and the Sparky XPLOR constraint plugin (shortcut xf) doesn’t take care of the differences between XPLOR and PDB. Thus I have to find a table showing me the differences of names http://stats.wordpress.com/b.gif?host=kpwu.wordpress.com&blog=76132&post=262&subd=kpwu&ref=&feed=1
Go to KPWU blog to read complete post.
Facilitating the structural characterisation of non-canonical amino acids in biomolecular NMR
Linear Mode
