Structure determination of protein-ligand complexes by NMR in solution

•Optimal sample preparation depending on exchange kinetics and experimental aim.•Selection of filtered/edited NOESY experiment depending on exchange kinetics and experimental aim.•Requirements for feasibility of structure determination.•Theoretical background for taking decisions on experimental par...

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Bibliographic Details
Published in:Methods (San Diego, Calif.) Calif.), 2018-04, Vol.138-139, p.3-25
Main Authors: Orts, Julien, Gossert, Alvar D.
Format: Article
Language:English
Subjects:
Kinetics
Ligands
Nuclear Magnetic Resonance, Biomolecular - methods
Protein Conformation
Proteins - analysis
Proteins - chemistry
Proteins - metabolism
Solutions
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Summary:•Optimal sample preparation depending on exchange kinetics and experimental aim.•Selection of filtered/edited NOESY experiment depending on exchange kinetics and experimental aim.•Requirements for feasibility of structure determination.•Theoretical background for taking decisions on experimental parameters.•Practical tips and tricks e.g. on limited solubility of ligands and selection of mixing time. In this paper, we discuss methods for determining structures of protein-ligand complexes by NMR in solution. Our discussion is based on small ligands (
ISSN:1046-2023
1095-9130
DOI:10.1016/j.ymeth.2018.01.019