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Paramagnetic NMR to study iron sulfur proteins: 13C detected experiments illuminate the vicinity of the metal center
Oct 19, 2023 - 1:17 PM - by nmrlearner
nmrlearner's Avatar Paramagnetic NMR to study iron sulfur proteins: 13C detected experiments illuminate the vicinity of the metal center

Abstract

The robustness of NMR coherence transfer in proximity of a paramagnetic center depends on the relaxation properties of the nuclei involved. In the case of Iron-Sulfur Proteins, different pulse schemes or different parameter sets often provide complementary results. Tailored versions of HCACO and CACO experiments significantly increase the number of observed Cα/Câ?? connectivities in highly paramagnetic systems, by recovering many resonances that were lost due to paramagnetic relaxation. Optimized 13C direct detected experiments can significantly extend the available assignments, improving the overall knowledge of these systems. The different relaxation properties of Cα and Câ?? nuclei are exploited in CACO vs COCA experiments and the complementarity of the two experiments is used to obtain structural information. The two [Fe2S2]+ clusters containing NEET protein CISD3 and the one [Fe4S4]2+ cluster containing HiPIP protein PioC have been taken as model systems. We show that tailored experiments contribute to decrease the blind sphere around the cluster, to extend resonance assignment of cluster bound cysteine residues and to retrieve details on the topology of the iron-bound ligand residues.



Source: Journal of Biomolecular NMR
0 Replies | 198 Views
Revealing structural secrets of a key cancer protein - EurekAlert
Oct 19, 2023 - 1:17 PM - by nmrlearner
nmrlearner's Avatar Revealing structural secrets of a key cancer protein - EurekAlert

Revealing structural secrets of a key cancer protein EurekAlert Read here
0 Replies | 209 Views
[NMR paper] Chemical shift transfer: an effective strategy for protein NMR assignment with ARTINA
Oct 19, 2023 - 1:17 PM - by nmrlearner
nmrlearner's Avatar Chemical shift transfer: an effective strategy for protein NMR assignment with ARTINA

Chemical shift transfer (CST) is a well-established technique in NMR spectroscopy that utilizes the chemical shift assignment of one protein (source) to identify chemical shifts of another (target). Given similarity between source and target systems (e.g., using homologs), CST allows the chemical shifts of the target system to be assigned using a limited amount of experimental data. In this study, we propose a deep-learning based workflow, ARTINA-CST, that automates this procedure, allowing CST...

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0 Replies | 144 Views
[NMR paper] Paramagnetic NMR to study iron sulfur proteins: 13C detected experiments illuminate the vicinity of the metal center
Oct 19, 2023 - 1:17 PM - by nmrlearner
nmrlearner's Avatar Paramagnetic NMR to study iron sulfur proteins: 13C detected experiments illuminate the vicinity of the metal center

The robustness of NMR coherence transfer in proximity of a paramagnetic center depends on the relaxation properties of the nuclei involved. In the case of Iron-Sulfur Proteins, different pulse schemes or different parameter sets often provide complementary results. Tailored versions of HCACO and CACO experiments significantly increase the number of observed C^(?)/C' connectivities in highly paramagnetic systems, by recovering many resonances that were lost due to paramagnetic relaxation....

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0 Replies | 155 Views
[NMR paper] Fragment-Based NMR Screening of the BPTF PHD Finger Methyl Lysine Reader Leads to the First Small-Molecule Inhibitors
Oct 19, 2023 - 1:17 PM - by nmrlearner
nmrlearner's Avatar Fragment-Based NMR Screening of the BPTF PHD Finger Methyl Lysine Reader Leads to the First Small-Molecule Inhibitors

Methyl lysine readers, specifically PHD fingers, are emerging epigenetic targets in human diseases. For example, several PHD finger fusions are implicated in clinical cases of acute myeloid leukemia, highlighting the potential for PHD inhibitors in disease regulation. However, limited chemical matter targeting PHD fingers exists. Here we report the first fragment-based screen against the BPTF PHD to identify several of the first reported BPTF PHD-targeting small-molecule ligands. We used...

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0 Replies | 155 Views
[NMR paper] Resolution in Cryogenic Solid State NMR: Challenges and Solutions
Oct 18, 2023 - 6:17 AM - by nmrlearner
nmrlearner's Avatar Resolution in Cryogenic Solid State NMR: Challenges and Solutions

NMR at cryogenic temperatures has the potential to provide rich site-specific details regarding biopolymer structure, function, and mechanistic intermediates. Broad spectral lines compared with room temperature NMR can sometimes present practical challenges. A number of hypotheses regarding the origins of line broadening are explored. One frequently considered explanation is the presence of inhomogeneous conformational distributions. Possibly these arise when the facile characteristic motions...

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0 Replies | 150 Views
[NMR paper] Stratification of hypertension and SARS-CoV-2 infection by quantitative NMR spectroscopy of human blood serum
Oct 18, 2023 - 6:17 AM - by nmrlearner
nmrlearner's Avatar Stratification of hypertension and SARS-CoV-2 infection by quantitative NMR spectroscopy of human blood serum

CONCLUSIONS: We present a more precise picture of COVID-19 blood serum parameters. Accordingly, considering sex and comorbidities should be included in future metabolomics studies for improved and refined patient stratification. Due to metabolic similarities with other viral infections, these results can be applied to other respiratory diseases in the future.

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0 Replies | 136 Views
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