Interactive model building of proteins from NMR data

✍ Scribed by Martin Billeter

• Book ID: 102525928
• Publisher: John Wiley and Sons
• Year: 2003
• Tongue: English
• Weight: 154 KB
• Volume: 41
• Category: Article
• ISSN: 0749-1581
• DOI: 10.1002/mrc.1248

✦ Synopsis

Already in 1980 estimates derived from nuclear Overhauser effects on proton-proton distances within a polypeptide backbone were recognized as crucial both for obtaining sequence-specific resonance assignments and for structure determinations. NMR measurements for distances of this type allowed an early characterization of the b-sheet in bovine pancreatic trypsin inhibitor. Subsequent studies based on proton-proton distances yielded tools to obtain resonance assignments as well as for the identification of regular secondary structures. Specially designed molecular graphics programs used similar distance restraints for conformational searches of protein folds. While structure calculation rapidly became automated, the successors of the early molecular graphics tools continue to play a significant role in the analysis of NMR-derived protein structures.