[en] The structures of membrane domains of the Divisome proteins and BlaR are not known and there is no homolog proteins of known structure to build homolgy models. Although the structure prediction of membrane proteins seems easier than for globular proteins, their ab initio prediction remains a difficult task. Only few methods have been used and validated on experimental pdb structures. By using the MARTINI or Bond coarse grain representation, the multimerization of transmembrane helices has been carried out by molecular dynamics, and the structure of several membrane proteins has been predicted by a tool of the Rosetta package. These methods are used here to predict the structure of the membrane embedded part of the politopic proteins from the divisome (FtsW, FtsK, FtsX and MraY) and BlaR. In a following part the MARTINI force field can be used to predict the TM helices interactions between the Divisome protein members.
Research Center/Unit :
Centre de Biophysique Moléculaire Numérique
Disciplines :
Biochemistry, biophysics & molecular biology
Author, co-author :
Crowet, Jean-Marc ; Université de Liège - ULiège > Chimie et bio-industries > Biophysique moléc. numér.
Dony, Nicolas ; Université de Liège - ULiège > Centre d'ingénierie des protéines
Joris, Bernard ; Université de Liège - ULiège > Département des sciences de la vie > Physiologie et génétique bactériennes
Brasseur, Robert ; Université de Liège - ULiège > Chimie et bio-industries > Biophysique moléc. numér.
Lins, Laurence ; Université de Liège - ULiège > Chimie et bio-industries > Biophysique moléc. numér.
Language :
English
Title :
Prediction of membrane protein structures and TM interactions Rosetta and molecular dynamic studies
Publication date :
26 February 2013
Number of pages :
A0
Event name :
IAP 7/44 Meeting: Integrative Protein Science: from small molecules to complex biological systems - iPros
Event organizer :
Professeur Bernard Joris
Event place :
Liège, Belgium
Event date :
26 février 2013
Name of the research project :
IAP/Belspo P7/44 project : Integrative Protein Science (iPROS)
Funders :
BELSPO - SPP Politique scientifique - Service Public Fédéral de Programmation Politique scientifique
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