Title
Domain coupling in the ABC transporter system BtuCD/BtuF: molecular dynamics simulation, normal mode analysis and protein-protein docking
Abstract
ATP Binding Cassette (ABC) transporters form a large class of proteins that use energy from ATP to power transport across biological membranes against the thermodynamic gradient. They consist of two watersoluble domains that are responsible for ATP hydrolysis and two transmembrane domains that form the transport pathway. In addition, they often interact with auxiliary domains or proteins that may regulate the transport process or deliver substrates. Recent crystal structures have revealed the molecular architecture of ABC transporters. We are using a combination of computational techniques to study the dynamics of ABC transporters, the possible mechanism by which the energy of ATP hydrolysis is used for transport, and the interactions between the different domains. We present an overview of our current understanding of the interactions between the domains of the vitamin B12 importer BtuCD, new simulation results from the BtuCD protein, and two models of the interactions of BtuCD with its substrate binding protein BtuF.
Year
DOI
Venue
2007
10.1109/HPCS.2007.15
Saskatoon, SK
Keywords
Field
DocType
b12 importer,substrate binding protein,abc transporter,use energy,atp hydrolysis,power transport,btucd protein,protein-protein docking,atp binding cassette,domain coupling,transport pathway,molecular dynamics simulation,transport process,abc transporter system,normal mode analysis,proteins,biochemistry,crystal structure,binding protein,biology,thermodynamics,transmembrane domain,molecular biophysics,computer architecture,predictive models,water soluble
Transmembrane domain,ATP-binding cassette transporter,ATP hydrolysis,Biological membrane,Biophysics,Binding protein,Computer science,Parallel computing,Transport Pathway,Molecular biophysics,Bioinformatics,ATP-binding domain of ABC transporters
Conference
ISBN
Citations 
PageRank 
0-7695-2813-9
0
0.34
References 
Authors
1
3
Name
Order
Citations
PageRank
Christian Kandt130.80
Eliud O. Oloo200.34
D Peter Tieleman3245.25