Protein Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful technique used for studying protein structures at the atomic level. CD ComputaBio offers Protein NMR Spectrum Characterization Services to help researchers and biotech companies analyze and interpret NMR data efficiently and accurately. With our expertise in computational modeling and bioinformatics, we provide comprehensive solutions for characterizing protein spectra, identifying chemical shifts, and elucidating structural information.
Backgroud
Protein NMR spectroscopy plays a crucial role in structural biology, drug discovery, and molecular research. By analyzing the NMR spectra of proteins, researchers can determine the three-dimensional structure, dynamics, and interactions of biomolecules. Interpreting NMR data requires sophisticated computational tools and expertise to extract meaningful information from complex spectral data. CD ComputaBio specializes in developing advanced algorithms and software for NMR spectrum characterization to facilitate precise structural analysis and functional annotation of proteins.
Figure 1. Protein NMR Spectrum Characterisation.( Nizioł J, et al.2020)
Our Service
At CD ComputaBio, we offer Protein NMR Spectrum Characterization Services tailored to meet the specific needs of our clients. Our services include:
Services
Description
NMR Spectral Data Analysis
Comprehensive analysis and interpretation of protein NMR spectra to identify chemical shifts, peak assignments, and structural features.
Structural Refinement
Prediction of protein structures based on NMR data and refinement of atomic coordinates for high-resolution structural models.
Dynamics and Interaction Studies
Assessment of protein dynamics, conformational changes, and macromolecular interactions using NMR spectroscopy.
Data Integration and Visualization
Integration of NMR data with other structural information for a holistic view of protein structure and function.
Applications
Our Protein NMR Spectrum Characterization services have broad applications across various fields of research and industry:
Drug Discovery and Design: Understanding protein targets and their interactions with potential drug candidates.
Biotechnology: Engineering proteins for industrial applications.
Medical Research: Studying disease-related proteins to develop new therapeutic approaches.
Academic Research: Supporting fundamental research into protein structure and function.
Our Algorithm
High-Resolution Structural Models
Utilizing NOE, J-coupling, chemical shift, and other NMR parameters to build detailed 3D structures.
Dynamic Simulations
Employing molecular dynamics to simulate and visualize protein motions over time.
Automated Data Processing
Streamlining the analysis workflow to deliver accurate and reproducible results.
Sample Requirements
To utilize our Protein NMR Spectrum Characterization Service, clients are required to provide:
Details of the protein sample, including sequence.
Any additional experimental conditions or constraints
Results Delivery
Upon completion of the Protein Mass Spectrometry Characterisation service, clients will receive a comprehensive report detailing the results of the analysis. The report includes:
Protein Identification: List of identified proteins with relevant information such as sequence coverage and confidence scores.
Post-Translational Modifications: Identification of PTMs, their locations, and potential functional implications.
Structural Insights: Predicted protein structures, conformational changes, and interaction networks.
Our Advantages
Expertise
Our team of bioinformaticians and computational biologists have extensive experience in protein NMR spectroscopy and structural biology.
Fast Turnaround
We prioritize efficiency and timely delivery of accurate results to accelerate research and development.
Cutting-Edge Technology
We utilize the latest computational tools and algorithms to provide state-of-the-art solutions for NMR spectrum characterization.
At CD ComputaBio, we are committed to providing top-notch Protein NMR Spectrum Characterization Services to advance structural biology research and drug discovery efforts. Our expertise in computational modeling, sophisticated algorithms, and dedication to quality ensure that our clients receive valuable insights and actionable results for their projects. Contact us today to learn more about how our services can support your research goals and enhance your understanding of protein structures through NMR spectroscopy.
Frequently Asked Questions
What types of proteins can be analyzed using NMR spectroscopy?
NMR spectroscopy can be used for a variety of proteins, but it is most effective for small to medium-sized proteins (generally less than 40 kDa) that are soluble in solution.
For larger proteins or protein complexes, specialized techniques such as isotopic labeling, or the use of fusion tags may be necessary. Additionally, membrane proteins and intrinsically disordered proteins pose unique challenges in NMR analysis, but advances in technology and methodology are enabling their study. Ultimately, the suitability of a protein for NMR analysis can depend on its size, stability, and the availability of isotopes like ^15N and ^13C for enhanced resolution.
How long does the process take from sample preparation to report generation?
The timeline for completing the Protein NMR Spectrum Characterization Service can vary significantly based on several factors, including the complexity of the protein, the specific experiments needed, and the workload of the NMR facility. Generally, sample preparation can take a few weeks, especially if protein expression and purification are required. NMR data acquisition might take several days to weeks, depending on the desired resolution and the number of experiments performed. Once data acquisition is complete, processing and analysis can take an additional week or two. Overall, clients should anticipate a timeline ranging from several weeks to a few months from initial sample submission to final report.
What kind of information can I expect to obtain from Protein NMR analysis?
From Protein NMR analysis, users can expect to obtain a wealth of information, including:
Structural Data: 3D coordinates and spatial arrangements of atoms within the protein.
Dynamic Information: Insights into protein flexibility and conformational changes that influence function.
Interaction Studies: Data on binding interactions with ligands, substrates, or other biomolecules.
Conformational States: Evidence of the presence of multiple conformers and their relative populations.
Chemical Shift Assignments: Which can be used for further studies or comparisons with other structures.
What are the applications of this service?
This service has diverse applications in various fields. In drug discovery, it helps identify potential drug binding sites and monitor the effects of drug candidates on protein structure. In structural biology, it provides complementary information to other techniques like X-ray crystallography.
It is also valuable in understanding protein folding, misfolding, and aggregation processes.
For example, in the development of a new cancer drug, NMR can reveal how the drug interacts with a target protein and guide the optimization of the drug molecule.
Reference
Nizioł J, Ossoliński K, Tripet B P, et al. Nuclear magnetic resonance and surface-assisted laser desorption/ionization mass spectrometry-based serum metabolomics of kidney cancer. Analytical and Bioanalytical Chemistry, 2020, 412: 5827-5841.
For research use only. Not intended for any clinical use.
Figure 1. Protein NMR Spectrum Characterisation.( Nizioł J, et al.2020) 
