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- For the case of 1:10, 1:1 and 1:200 of protein:ligand fractions, in 035, 035...LessOfLigand and 035...MoreOfLigand.
- Check the simulated NOESY spectra (!note that the axes are not chemical shifts but simply atomic indices!)
- see the file: NOESYZoomLigand.pdf, the right lower corner is the section corresponding to the ligand.
- cd ~/exercices/035_genLigandDistancesExact
- open NOESYZoomLigand.pdf
- what is the sign and intensity of the NOESY crosspeaks of the ligand - indices around 120 to the end? (compared the part of the protein)
- Check now with lower concentration of the ligand (1:1 ration with protein)
- cd ~/exercices/035_genLigandDistancesExactLessOfLigand
- open NOESYZoomLigand.pdf
- what is not the sign and intensity of the NOESY crosspeaks of the ligand?
- Check with a high concentration of the protein:
- cd ~/exercices/035_genLigandDistancesExactMoreOfLigand
- open NOESYZoomLigand.pdf
- the same question
- Based on these simulated spectra, how How would you determine structure of a ligand in the bound state?
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