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Structure. 2012 Apr 4;20(4):718-28. doi: 10.1016/j.str.2012.01.024. Epub 2012 Apr 3.

Detection of spatial correlations in protein structures and molecular complexes.

Author information

1
Division of Bioinformatics, Department of Molecular Biology, University of Salzburg, Hellbrunnerstraße 34, 5020 Salzburg, Austria. sippl@came.sbg.ac.at

Abstract

Protein structures are frequently related by spectacular and often surprising similarities. Structural correlations among protein chains are routinely detected by various structure-matching techniques, but the comparison of oligomers and molecular complexes is largely uncharted territory. Here we solve the structure-matching problem for oligomers and large molecular aggregates, including the largest molecular complexes known today. We provide several challenging examples that cannot be handled by conventional structure-matching techniques and we report on a number of remarkable correlations. The examples cover the cell-puncturing device of bacteriophage T4, the secretion system of P. aeruginosa, members of the dehydrogenase family, DNA clamps, ferredoxin iron-storage cages, and virus capsids.

PMID:
22483118
PMCID:
PMC3320710
DOI:
10.1016/j.str.2012.01.024
[Indexed for MEDLINE]
Free PMC Article
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