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bioRxiv · 10.1101/480194

Universal architectural concepts underlyingprotein folding patterns

Lesk, A.·Subramanian, R.·Allison, L.·Abramson, D.·Stuckey, P.·Garcia de la Banda, M.·Konagurthu, A.
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Abstract

What is the architectural basis set of the observed universe of protein structures? Using information-theoretic inference, we answer this question with a comprehensive dictionary of 1,493 substructural concepts. Each concept represents a topologically-conserved assembly of helices and strands that make contact. Any protein structure can be dissected into instances of concepts from this dictionary. We dissected the world-wide protein data bank and completely inventoried all concept instances. This yields an unprecedented source of biological insights. These include: correlations between concepts and catalytic activities or binding sites, useful for rational drug design; local amino-acid sequence-structure correlations, useful for ab initio structure prediction methods; and information supporting the recognition and exploration of evolutionary relationships, useful for structural studies. An interactive site, PO_SCPLOWROCODICC_SCPLOW, at http://lcb.infotech.monash.edu.au/prosodic (click) provides access to and navigation of the entire dictionary of concepts, and all associated information.

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Lesk, A., Subramanian, R., Allison, L., Abramson, D., Stuckey, P., Garcia de la Banda, M., Konagurthu, A.. 2018-11-27. Universal architectural concepts underlyingprotein folding patterns. https://doi.org/10.1101/480194

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