ATTRACT-EM: a new method for the computational assembly of large molecular machines using cryo-EM maps.

ABSTRACT: Many of the most important functions in the cell are carried out by proteins organized in large molecular machines. Cryo-electron microscopy (cryo-EM) is increasingly being used to obtain low resolution density maps of these large assemblies. A new method, ATTRACT-EM, for the computational assembly of molecular assemblies from their components has been developed. Based on concepts from the protein-protein docking field, it utilizes cryo-EM density maps to assemble molecular subunits at near atomic detail, starting from millions of initial subunit configurations. The search efficiency was further enhanced by recombining partial solutions, the inclusion of symmetry information, and refinement using a molecular force field. The approach was tested on the GroES-GroEL system, using an experimen

SUBMITTER: de Vries SJ 

PROVIDER: S-EPMC3522670 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature