MOLECULAR ASSEMBLY

A multidisciplinary approach for the computational assembly of large molecular machines from electron density maps

Coordinatore	TECHNISCHE UNIVERSITAET MUENCHEN    more  Organization address address: Arcisstrasse 21 city: MUENCHEN postcode: 80333 contact info Titolo: Ms. Nome: Ulrike Cognome: Ronchetti Email: send email Telefono: +49 89 289 22616 Fax: +49 89 289 22620
Nazionalità Coordinatore	Germany [DE]
Totale costo	162˙242 €
EC contributo	162˙242 €
Programma	FP7-PEOPLE Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	FP7-PEOPLE-2010-IEF
Funding Scheme	MC-IEF
Anno di inizio	2011
Periodo (anno-mese-giorno)	2011-06-01   -   2013-05-31

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	TECHNISCHE UNIVERSITAET MUENCHEN  Organization address address: Arcisstrasse 21 city: MUENCHEN postcode: 80333 contact info Titolo: Ms. Nome: Ulrike Cognome: Ronchetti Email: send email Telefono: +49 89 289 22616 Fax: +49 89 289 22620	DE (MUENCHEN)	coordinator	162˙242.40

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 Obiettivo del progetto (Objective)

'Proteins are often organized in large, dynamic molecular machines. A mechanistic, atomic-resolution understanding of these machines would provide fundamental insights into the clockwork of the complex machinery underlying human life. However, machines such as the 26S-proteasome have resisted crystallization attempts for decades. Cryo-electron microscopy (cryo-EM) has provided insightful maps of molecular machines, but these lack atomic resolution. In principle, molecular machines can be assembled from atomic homology models of the subunits. However, homology models often contain large errors, causing existing assembly methods to fail. Here I present a multidisciplinary approach for the assembly of large molecular machines from cryo-EM maps. I will combine computational techniques from cryo-EM, homology modelling and interface prediction into ATTRACT, the only docking method that integrates subunit flexibility into the initial search. Driven by a cryo-EM density map, ATTRACT’s coordinated motions will reduce the initial homology model errors, bending the subunits into the correct shape while they are being assembled. The challenging nature of the problem requires the integration of approaches. After firm assessment of the abilities of the method, it will be applied to experimental density maps of the proteasome and other molecular machines, providing new fundamental insights when neither complex nor subunits are known.'