4.3 Article

NMR of Paramagnetic Proteins: 13C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Biochemistry & Molecular Biology

Relaxation-based NMR assignment: Spotlights on ligand binding sites in human CISD3

Deborah Grifagni et al.

Summary: CISD3 is a mitochondrial protein with two [Fe2S2] clusters coordinated by CDGSH domains, belonging to the NEET proteins family. While little is known about its structure-function relationships, NMR can provide atomic level information on intermolecular interactions in solution. However, paramagnetic proteins limit the application of this technique due to signal broadening. This study demonstrates how paramagnetic relaxation can assist in signal assignment and identifies potential key players in the biological function of CISD3 protein.

JOURNAL OF INORGANIC BIOCHEMISTRY (2023)

Article Chemistry, Multidisciplinary

Interconversion between [2Fe-2S] and [4Fe-4S] cluster glutathione complexes

Michele Invernici et al.

Summary: This study presents the effects of different iron-sulfide-glutathione ratios on the speciation of iron-sulfur cluster glutathione complexes. An excess of sulfide promotes the formation of a tetranuclear complex, while an excess of iron ions favors the formation of a dinuclear complex. These two complexes establish an interconversion equilibrium.

CHEMICAL COMMUNICATIONS (2022)

Review Chemistry, Multidisciplinary

13C Direct Detected NMR for Challenging Systems

Isabella C. Felli et al.

Summary: Modern C-13 NMR has become a valuable tool for biomolecular applications, allowing for complete assignment of proteins and providing unique information. A wide range of NMR observables can be measured to characterize the structure and dynamics of proteins comprehensively.

CHEMICAL REVIEWS (2022)

Review Chemistry, Multidisciplinary

Paramagnetic Chemical Probes for Studying Biological Macromolecules

Qing Miao et al.

Summary: Paramagnetic chemical probes have been widely used in EPR and NMR spectroscopy, especially in the study of biological macromolecules. Recent developments include an increase in the variety of paramagnetic probes, the development of lanthanoid probes for protein studies, and the development of isotropic paramagnetic probes for NMR and EPR measurements.

CHEMICAL REVIEWS (2022)

Article Biochemistry & Molecular Biology

Paramagnetic effects in NMR for protein structures and ensembles: Studies of metalloproteins

Giacomo Parigi et al.

Summary: Paramagnetic effects in NMR spectra provide valuable information on structure, electronic properties, and dynamics in biological systems. These effects are used for protein structure determination, refinement, and analysis of domain arrangement. Recent advances in quantum chemistry treatment enable high-resolution refinement of protein structures at metal coordination sites.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2022)

Article Multidisciplinary Sciences

Paramagnetic relaxation enhancement NMR as a tool to probe guest binding and exchange in metallohosts

Anne Swartjes et al.

Summary: The study shows that metallohost-guest systems can be studied using the paramagnetic relaxation enhancement effect. Mn(III) porphyrin cage compounds can bind and thread low molecular weight and polymeric guests through this effect.

NATURE COMMUNICATIONS (2022)

Article Chemistry, Multidisciplinary

Theory and Applications of Nitroxide-based Paramagnetic Cosolutes for Probing Intermolecular and Electrostatic Interactions on Protein Surfaces

Yusuke Okuno et al.

Summary: This study explores distinct properties of solvent paramagnetic relaxation enhancement (sPRE) arising from nitroxide-based cosolutes and provides new insights into the interpretation of sPRE and sPRE-derived OENS. Four different approaches for evaluating OENS are discussed, which enable the investigation of both long-range and short-range electrostatic interactions.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

Article Biochemistry & Molecular Biology

Measurement of 1Hα transverse relaxation rates in proteins: application to solvent PREs

Yuki Toyama et al.

Summary: This study presents a methodology for accurately measuring PRE values at neutral pH for intrinsically disordered proteins, utilizing a modified experiment to record H-1(alpha) transverse relaxation rates. The experiment demonstrates robustness and consistency in measured PRE values.

JOURNAL OF BIOMOLECULAR NMR (2022)

Review Biochemistry & Molecular Biology

NMR of paramagnetic metalloproteins in solution: Ubi venire, quo vadis?

Ines B. Trindade et al.

Summary: Metalloproteins play a significant role in enzymology, but their NMR structures are under-represented in the database. However, studying paramagnetic proteins offers unique opportunities for structure-function studies, and the development of new pulse sequences expands the range of systems that can be studied by solution-state NMR.

JOURNAL OF INORGANIC BIOCHEMISTRY (2022)

Article Chemistry, Multidisciplinary

Interdomain Dynamics via Paramagnetic NMR on the Highly Flexible Complex Calmodulin/Munc13-1

Niels Karschin et al.

Summary: This study presents a new approach using pseudocontact shifts and residual dipolar couplings to study protein interdomain motion. By sampling the conformational space and using a genetic algorithm, an accurate and reproducible model of the interdomain motion of Calmodulin/Munc13-1 was obtained without prior knowledge from crystallography.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

Review Chemistry, Physical

Solvent paramagnetic relaxation enhancement as a versatile method for studying structure and dynamics of biomolecular systems

Aneta J. Lenard et al.

Summary: Solvent paramagnetic relaxation enhancement (sPRE) is a versatile NMR-based method that characterizes the structure and dynamics of biomolecular systems by providing quantitative experimental information on the solvent accessibility of NMR-active nuclei. This review discusses recent progress in sPRE-based characterization of biomolecules and their complexes, highlighting the diverse applications of the method. By combining sPRE with complementary biophysical techniques, it is possible to advance biomolecular structure determination, identify interaction surfaces within protein complexes, probe conformational changes and low-population transient states, and gain insights into weak, nonspecific, and transient interactions between proteins and co-solutes. Additionally, the incorporation of solvent paramagnetic probes can improve the sensitivity of NMR experiments and hold promise for applications in metabolomics, drug discovery, and the study of intrinsically disordered proteins.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2022)

Article Chemistry, Multidisciplinary

Molecular Structure of Cu(II)-Bound Amyloid-β Monomer Implicated in Inhibition of Peptide Self-Assembly in Alzheimer's Disease

Axel Abelein et al.

Summary: Metal ions, especially copper ions, can modulate the self-assembly of the amyloid-beta peptide and trigger the production of neurotoxic reactive oxygen species. This study used tailored NMR experiments to determine the structures of Cu(II) bound to monomeric A beta and found two prevalent coordination modes. The binding of Cu(II) efficiently retards A beta fibrillization and promotes A beta oligomer generation.

JACS AU (2022)

Article Chemistry, Physical

The evolution of paramagnetic NMR as a tool in structural biology

Enrico Ravera et al.

Summary: Paramagnetic NMR data provide highly accurate long-range information on metalloprotein structures. They are a powerful tool for refining protein models, monitoring complex formation, and highlighting conformational heterogeneity.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Review Chemistry, Multidisciplinary

C-13 Direct Detected NMR for Challenging Systems

Isabella C. Felli et al.

Summary: Modern C-13 NMR has become a valuable tool for biomolecular applications, allowing for complete protein assignment and unique information for the study of various biomolecules. Its different properties compared to H-1 provide the rationale for experiments and their applications in structural and dynamic characterization.

CHEMICAL REVIEWS (2022)

Review Chemistry, Multidisciplinary

Paramagnetic Chemical Probes for Studying Biological Macromolecules

Qing Miao et al.

Summary: This review provides a comprehensive overview of the existing paramagnetic chemical probes, including chemical synthetic approaches, functional properties, and selected applications in the study of biological macromolecules. Recent developments have seen a rapid expansion of lanthanoid probes with anisotropic magnetic susceptibilities and isotropic paramagnetic probes for protein studies and investigations of biological macromolecules.

CHEMICAL REVIEWS (2022)

Article Biochemistry & Molecular Biology

PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems

Ines B. Trindade et al.

Summary: Metalloproteins play vital roles in biology, and understanding their structure is crucial. A study utilized NMR to determine protein structure, finding that under favorable conditions, Paramagnetic Relaxation Enhancements (PREs) can efficiently complement and eventually replace Nuclear Overhauser Enhancements (NOEs) for structural characterization of small paramagnetic metalloproteins or de novo-designed metalloproteins.

FEBS JOURNAL (2021)

Article Chemistry, Inorganic & Nuclear

Sequence-specific assignments in NMR spectra of paramagnetic systems: A non-systematic approach

Ines B. Trindade et al.

Summary: Assigning H-1, C-13 and N-15 protein signals becomes challenging in the presence of a paramagnetic center. Tailored experiments and optimizations can help overcome the difficulties and obtain complete resonance assignment.

INORGANICA CHIMICA ACTA (2021)

Article Biochemistry & Molecular Biology

Conjuring up a ghost: structural and functional characterization of FhuF, a ferric siderophore reductase from E. coli

I. B. Trindade et al.

Summary: Iron is crucial for all forms of life, and microbes utilize siderophores to scavenge iron. FhuF, the first and only isolated FSR protein, shares similarities with SIP proteins in binding to ferrichrome and exhibiting a redox-Bohr effect. Despite structural differences, mechanistic similarities exist between FSR and SIP proteins.

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY (2021)

Article Chemistry, Multidisciplinary

Intrinsic anisotropy parameters of a series of lanthanoid complexes deliver new insights into the structure-magnetism relationship

Raphael Vogel et al.

Summary: Lanthanoid chelating tags are commonly used in advanced paramagnetic NMR of biomacromolecules, but the effectiveness of their induced shifts depends on the protein's resonances. This study determined the intrinsic anisotropy parameters for the lanthanoid series experimentally from ligand resonances. The results provide crucial insights for future PCS applications.
Article Chemistry, Multidisciplinary

Sensitivity-Enhanced 13C-NMR Spectroscopy for Monitoring Multisite Phosphorylation at Physiological Temperature and pH

Ania Alik et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Article Chemistry, Multidisciplinary

Monitoring the Interaction of α-Synuclein with Calcium Ions through Exclusively Heteronuclear Nuclear Magnetic Resonance Experiments

Letizia Pontoriero et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Article Biochemistry & Molecular Biology

Measuring transverse relaxation in highly paramagnetic systems

Michele Invernici et al.

JOURNAL OF BIOMOLECULAR NMR (2020)

Review Chemistry, Physical

Paramagnetic NMR in solution and the solid state

Andrew J. Pell et al.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2019)

Article Biochemistry & Molecular Biology

Emerging solution NMR methods to illuminate the structural and dynamic properties of proteins

Haribabu Arthanari et al.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2019)

Article Biochemical Research Methods

Protein NMR: Boundless opportunities

Ad Bax et al.

JOURNAL OF MAGNETIC RESONANCE (2019)

Review Chemistry, Physical

Design and applications of lanthanide chelating tags for pseudocontact shift NMR spectroscopy with biomacromolecules

Daniel Joss et al.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2019)

Article Biochemistry & Molecular Biology

Protein structure prediction assisted with sparse NMR data in CASP13

Davide Sala et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2019)

Article Biochemistry & Molecular Biology

Long-range paramagnetic NMR data can provide a closer look on metal coordination in metalloproteins

Linda Cerofolini et al.

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY (2018)

Article Chemistry, Multidisciplinary

H-1 NMR Spectroscopy of [FeFe] Hydrogenase: Insight into the Electronic Structure of the Active Site

Sigrun Rumpel et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Review Biochemistry & Molecular Biology

The NMR contribution to protein-protein networking in Fe-S protein maturation

Lucia Banci et al.

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY (2018)

Article Chemistry, Multidisciplinary

Accurate Electron-Nucleus Distances from Paramagnetic Relaxation Enhancements

Henry W. Orton et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Article Biochemistry & Molecular Biology

Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools

Chris A. E. M. Spronk et al.

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY (2018)

Article Chemistry, Multidisciplinary

Minimal Heterochiral de Novo Designed 4Fe-4S Binding Peptide Capable of Robust Electron Transfer

J. Dongun Kim et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Article Chemistry, Multidisciplinary

3D structure determination of a protein in living cells using paramagnetic NMR spectroscopy

Bin-Bin Pan et al.

CHEMICAL COMMUNICATIONS (2016)

Article Multidisciplinary Sciences

Transient HIV-1 Gag-protease interactions revealed by paramagnetic NMR suggest origins of compensatory drug resistance mutations

Lalit Deshmukh et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2016)

Article Chemistry, Analytical

Mapping Monoclonal Antibody Structure by 2D 13C NMR at Natural Abundance

Luke W. Arbogast et al.

ANALYTICAL CHEMISTRY (2015)

Review Chemistry, Inorganic & Nuclear

Transient iron coordination sites in proteins: Exploiting the dual nature of paramagnetic NMR

Mario Piccioli et al.

COORDINATION CHEMISTRY REVIEWS (2015)

Article Biochemistry & Molecular Biology

Combined automated NOE assignment and structure calculation with CYANA

Peter Guentert et al.

JOURNAL OF BIOMOLECULAR NMR (2015)

Article Biochemistry & Molecular Biology

APSY-NMR for protein backbone assignment in high-throughput structural biology

Samit Kumar Dutta et al.

JOURNAL OF BIOMOLECULAR NMR (2015)

Article Biochemistry & Molecular Biology

The IR-15N-HSQC-AP experiment: a new tool for NMR spectroscopy of paramagnetic molecules

Simone Ciofi-Baffoni et al.

JOURNAL OF BIOMOLECULAR NMR (2014)

Article Biochemistry & Molecular Biology

Solution structure and intermolecular interactions of the third metal-binding domain of ATP7A, the Menkes disease protein

Lucia Banci et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2006)

Review Chemistry, Physical

13C-detected protonless NMR spectroscopy of proteins in solution

W Bermel et al.

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (2006)

Article Biochemistry & Molecular Biology

Assignment strategy for fast relaxing signals:: complete aminoacid identification in thulium substituted Calbindin D9K

S Balayssac et al.

JOURNAL OF BIOMOLECULAR NMR (2006)

Article Chemistry, Multidisciplinary

Direct-detected 13C NMR to investigate the iron(III) hemophore HasA

C Caillet-Saguy et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

Article Biochemical Research Methods

13C Direct detected experiments:: Optimization for paramagnetic signals

I Bertini et al.

JOURNAL OF MAGNETIC RESONANCE (2005)

Review Biophysics

NMR structures of paramagnetic metalloproteins

Fabio Arnesano et al.

QUARTERLY REVIEWS OF BIOPHYSICS (2005)

Article Biochemistry & Molecular Biology

Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site

TA Ramelot et al.

JOURNAL OF MOLECULAR BIOLOGY (2004)

Article Chemistry, Multidisciplinary

Quantitative evaluation of experimental NMR restraints

SB Nabuurs et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Biochemical Research Methods

Tailored HCCH-TOCSY experiment for resonance assignment in the proximity of a paramagnetic center

M Piccioli et al.

JOURNAL OF MAGNETIC RESONANCE (2002)

Article Chemistry, Multidisciplinary

Structural characterization of proteins with an attached ATCUN motif by paramagnetic relaxation enhancement NMR spectroscopy

LW Donaldson et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)

Article Biochemistry & Molecular Biology

De novo determination of protein structure by NMR using orientational and long-range order restraints

JC Hus et al.

JOURNAL OF MOLECULAR BIOLOGY (2000)