Structural heterogeneity is intimate to the functioning of many proteins and thus describing a protein with a single native structure is often insufficient to elucidate its function. In particular, intrinsically disordered proteins (IDPs) can only be approached by solution techniques and described as structural ensembles. The same is true for multidomain proteins that have disordered linkers. Apparently, the ensemble representations of these proteins carry essential function-related information, yet they have not been available until now.

Read more about IDPs..

The goal of pE-DB is to serve as an openly accessible database for the deposition of structural information on IDP- and denatured protein ensembles based on Nuclear Magnetic Resonance (NMR) and Small-angle X-ray Scattering (SAXS) data. We are also hosting purely computational models, typically from Molecular Dynamics (MD) simulations. The deposition of structural coordinates as well as primary data can be used for evaluating and re-calculating the ensembles, thus supporting the evolution of new modeling methods leading to much improved skills of connecting “unstructure” with function.

Read more about protein ensembles..

New entry 8AAC
2014-10-20: NMR and SAXS based ensemble from Julie Forman-Kay of the unfolded SH3 domain
New entry 5AAA
2014-04-02: NMR and SAXS-based ensemble of the PaaA2 antitoxin from Nico van Nuland
New entry 6AAA
2014-01-27: SAXS and NMR-based ensemble of p15PAF, from Pau Bernado
pE-DB stores 8988 protein structures of 46 ensembles in 16 entries as of 12/20/2014 11:13:52 pm
For citing pE-DB, please refer to: Mihaly Varadi, Simone Kosol, Pierre Lebrun, Erica Valentini, Martin Blackledge, A. Keith Dunker, Isabella C. Felli, Julie D. Forman-Kay, Richard W. Kriwacki, Roberta Pierattelli, Joel Sussman, Dmitri I. Svergun, Vladimir N. Uversky, Michele Vendruscolo, David Wishart, Peter E. Wright and Peter Tompa 'pE-DB: a database of structural ensembles of intrinsically disordered and of unfolded proteins' Nucleic Acids Res. 2014 Jan (Database issue); Epub 2013 Oct 29.