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..