Archiving Integrative Structural Models

Abstract

Integrative modeling combines information from various experimental and computational techniques to derive the structures of complex macromolecular assemblies that are often elusive to traditional methods of structure determination. Structures determined using integrative modeling present a variety of challenges compared to the structures currently archived in the Protein Data Bank (PDB). To address these challenges, we have created the data standards required for representing integrative models that span multiple spatiotemporal scales and conformational states, as well as the spatial restraints derived from different experimental techniques. Based on the new data standards, we have built a prototype system called PDB-Dev to archive integrative structural models. In addition, a new data harvesting system has been created to enable users to put together the information required for archiving integrative models in PDB-Dev. The work is supported by NSF awards DBI-1519158, DBI-1756248 and DBI-1756250 and NIH awards R01GM083960 and P41GM109824.