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Principal Investigator

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P8  Lucy Forrest
Group Leader

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Computational Structural Biology Group
Max Planck Institute of Biophysics

Max-von-Laue-Str. 3
60438 Frankfurt am Main, Germany


> publications

P8 Computational studies of alternating access mechanisms in sodium-dependent secondary transporters

The alternating-access mechanism provides a theoretical foundation for understanding how membrane transporters function. A key observation is that a relationship appears to exist between the inverted structural repeats within these proteins, and their ability to adopt multiple conformations. Based on this notion, our group uses computational approaches guided by experimental data in order to model alternate states of various sodium-dependent secondary transporters. In addition, to further understand the structure-function relationships of transport and regulation in these proteins, we utilize bioinformatics tools such as homology modeling and sequence analysis, as well as molecular dynamics simulations.

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Publications

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Schushan, M., Rimon, A., Haliloglu, T., Forrest, L.R., Padan, E. and Ben-Tal, N. (2012) A model-structure of a periplasm-facing state of the NhaA antiporter suggests the molecular underpinnings of pH-induced conformational changes. J Biol Chem 287, 18249-18261.

Tsai, C.-J., Khafizov, K., Gaertner, R., Hakulinen, J., Forrest, L.R., Kraemer, R., Kühlbrandt, W. and Ziegler, C. (2011) Structural asymmetry in the betaine transporter BetP trimer indicates three different conformational states.
J Mol Biol 407, 368-381.

Staritzbichler, R., Anselmi, C., Forrest, L.R. and Faraldo-Gómez, J.D. (2011) GRIFFIN: A versatile methodology for optimization of protein-lipid interfaces for membrane protein simulations.
J Chem Theor Comput 7, 1167-1176.

Faraldo-Gómez, J.D. and Forrest, L.R. (2011) Modeling and simulation of ion- and ATP-driven membrane proteins.
Curr Opin Struc Biol 21, 1-7.

Radestock, S. and Forrest, L.R. (2011)
The alternating-access mechanism of MFS transporters arises from inverted-topology repeats. J Mol Biol 407, 698-715.

Perez, C., Khafizov, K., Kraemer, R., Forrest, L.R. and Ziegler, C. (2011) Role of trimerization in the osmoregulated betaine transporter BetP.
EMBO Rep 12, 804-810.

Tavoulari, S., Forrest, L.R. and Rudnick, G. (2009) Fluoxetine (prozac) binding to serotonin transporter is modulated by chloride and conformational changes.
J Neurosci 29, 9635-9643.

Crisman, T., Qu, S., Kanner, B.I. and Forrest, L.R. (2009) Inward-facing conformation of glutamate transporters as revealed by their inverted-topology structural repeats. Proc Natl Acad Sci
USA 106, 20752-20757.

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Collaborations

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Ziegler (P4), Mäntele (P5), Kühlbrandt (P1)