Summary
A new program, ASNO (‘ASsign NOes’), for computer-supported NOE cross-peak assignments is described. ASNO is used for structure refinement in several rounds of NOESY cross-peak assignments and 3D structure calculations, where the preliminary structures are used as a reference to resolve ambiguities in NOE assignments which are otherwise based on the chemical shifts available from the sequence-specific resonance assignments. The practical use of ASNO for proteins is illustrated with the structure determination of Dendrotoxin K from Dendroaspis polylepis polylepis.
Abbreviations
- Toxin K:
-
dendrotoxin K (or ‘trypsin inhibitor homologue K’) from the venom of the black mamba Dendroaspis polylepis polylepis
- NOE:
-
nuclear Overhauser effect
- NOESY:
-
NOE spectroscopy
- REDAC:
-
use of redundant dihedral angle constraints
- RMSD:
-
root-mean-square deviation
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Güntert, P., Berndt, K.D. & Wüthrich, K. The program ASNO for computer-supported collection of NOE upper distance constraints as input for protein structure determination. J Biomol NMR 3, 601–606 (1993). https://doi.org/10.1007/BF00174613
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DOI: https://doi.org/10.1007/BF00174613