Detection of spatial correlations in protein structures and molecular complexes

Manfred J Sippl, Markus Wiederstein

    Research output: Contribution to journalArticle


    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.

    Translated title of the contributionDetection of Spatial Correlations in Protein Structures and Molecular Complexes
    Original languageEnglish
    Pages (from-to)718-728
    Number of pages11
    Issue number4
    Publication statusPublished - 4 Apr 2012

    Bibliographical note

    Copyright © 2012 Elsevier Ltd. All rights reserved.

    Fields of Science and Technology Classification 2012

    • 106 Biology


    • Bacterial Proteins/chemistry
    • Bacteriophage T4/chemistry
    • Capsid Proteins/chemistry
    • Computer Simulation
    • Crystallography, X-Ray
    • DNA/chemistry
    • Ferredoxins/chemistry
    • Ferritins/chemistry
    • Fungal Proteins/chemistry
    • Humans
    • Models, Molecular
    • Oxidoreductases/chemistry
    • Protein Multimerization
    • Protein Structure, Tertiary
    • Pseudomonas aeruginosa/chemistry
    • Sequence Homology, Amino Acid
    • Structural Homology, Protein

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