Universal architectural concepts underlying protein folding patterns
Arthur M. LeskiD, Ramanan Subramanian, Lloyd AllisoniD, David AbramsoniD, Peter J. StuckeyiD, María García de la BandaiD, Arun S. KonagurthuiD
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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