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Quantitative 1H Nuclear Magnetic Resonance (qNMR) of Aromatic Amino Acids for Protein Quantification - MDPI
Apr 06, 2023 - 5:43 PM - by nmrlearner
nmrlearner's Avatar Quantitative 1H Nuclear Magnetic Resonance (qNMR) of Aromatic Amino Acids for Protein Quantification MDPI
Quantitative 1H Nuclear Magnetic Resonance (qNMR) of Aromatic Amino Acids for Protein Quantification - MDPI
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Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction
Apr 05, 2023 - 5:15 PM - by nmrlearner
nmrlearner's Avatar 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 structure prediction. We demonstrate this approach using the disulfide bond formation protein B (DsbB), an α-helical IMP. Here, we attached a cyclen-based paramagnetic lanthanide tag to an engineered non-canonical amino acid (ncAA) using a copper-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry reaction. Using this tagging strategy, we collected 203 backbone HN pseudocontact shifts (PCSs) for three different labeling sites and used these as input to guide de novo membrane protein structure prediction protocols in Rosetta. We find that this sparse PCS dataset combined with 44 long-range NOEs as restraints in our calculations improves structure prediction of DsbB by enhancements in model accuracy, sampling, and scoring. The inclusion of this PCS dataset improved the Cα-RMSD transmembrane segment values of the best-scoring and best-RMSD models from 9.57Â*Ã? and 3.06Â*Ã? (no NMR data) to 5.73Â*Ã? and 2.18Â*Ã?, respectively.



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[Latest Edition] 3D Protein Structure Analysis Market worth 2896.72 ... - Digital Journal
Apr 05, 2023 - 5:15 PM - by nmrlearner
nmrlearner's Avatar [Latest Edition] 3D Protein Structure Analysis Market worth 2896.72 ... - Digital Journal

[Latest Edition] 3D Protein Structure Analysis Market worth 2896.72 ... Digital Journal Read here
0 Replies | 219 Views
[NMR paper] Engineering an Oxygen-Binding Protein for Photocatalytic CO2 Reductions in Water
Apr 05, 2023 - 5:15 PM - by nmrlearner
nmrlearner's Avatar Engineering an Oxygen-Binding Protein for Photocatalytic CO2 Reductions in Water


Angewandte Chemie International Edition, EarlyView.

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0 Replies | 246 Views
[NMR paper] Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction
Apr 05, 2023 - 5:04 AM - by nmrlearner
nmrlearner's Avatar 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 using the disulfide bond formation protein B (DsbB), an...

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0 Replies | 282 Views
Investigating the druggability of SARS-CoV-2 nucleocapsid protein RNA interactions - Phys.org
Apr 04, 2023 - 3:23 PM - by nmrlearner
nmrlearner's Avatar Investigating the druggability of SARS-CoV-2 nucleocapsid protein RNA interactions - Phys.org

Investigating the druggability of SARS-CoV-2 nucleocapsid protein RNA interactions Phys.org Read here
0 Replies | 232 Views
Cerebrospinal fluid lipoproteins inhibit ?-synuclein aggregation by ... - Molecular Neurodegeneration
Apr 04, 2023 - 3:23 PM - by nmrlearner
nmrlearner's Avatar Cerebrospinal fluid lipoproteins inhibit ?-synuclein aggregation by ... - Molecular Neurodegeneration

Cerebrospinal fluid lipoproteins inhibit ?-synuclein aggregation by ... Molecular Neurodegeneration Read here
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[NMR paper] A Dual-Metal-Catalyzed Sequential Cascade Reaction in an Engineered Protein Cage
Apr 04, 2023 - 3:23 PM - by nmrlearner
nmrlearner's Avatar A Dual-Metal-Catalyzed Sequential Cascade Reaction in an Engineered Protein Cage


Angewandte Chemie International Edition, Volume 62, Issue 16, April 11, 2023.

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0 Replies | 275 Views
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