PhD Scientific Days 2023

Translational Medicine - Posters O

Metadynamics for ABCG36 Transport Pathway Characterization

Előadó neve

Torres Constante, Karen Odalys, MSc

Neptun code

R74PMI

Előadó munkahelye

Semmelweis University

Előadó telefonszáma

+36205180971

Előadó e-mail címe

odalystorres20@gmail.com

Az előadás címe

Metadynamics for ABCG36 Transport Pathway Characterization

Szerző(k) neve és munkahelye

Odalys Torres1, Jian Xia2, Markus Geisler2, Tamás Hegedűs1,3

1 Department of Biophysics and Radiation Biology, Semmelweis University, Budapest, HU
2 Department of Biology, University of Fribourg, Fribourg, Switzerland
3 ELKH-SE Molecular Biophysics Research Group, ELKH, Budapest, HU

Bemutatás módja

Poszter

Szekció

Translational Medicine - Posters O

Language of the presentation

English

Preferred session

Theoretical and Translational Medicine

Összefoglaló szövege

The pleiotropic plant ABCG transporter, AtABCG36 has a role in the export of a few structurally distinct substrates, including the auxin hormone precursor, indole-3-butyric acid (IBA), and camalexin (CAM), which has been demonstrated to participate in the defense against several pathogens in Arabidopsis. Because of these important functions, we aimed to investigate the ABCG36 substrate recognition and transport mechanisms using molecular dynamics. This transporter consists of two large transmembrane domains (TM) with a central pocket between them. After substrate binding, the two ATP-bound nucleotide-binding domains close, and the substrate is moved from the central binding pocket to the extracellular space through the Leu/Phe-valve. We found in our experiments that the L704F mutation in this valve diminishes CAM transport while retaining IBA transport. This indicates the Leu/Phe-valve participates in substrate selection. Acknowledgements: NKFI-127961, KIFÜ HU HPC, MTA Wigner GPU Laboratory

University and Doctoral School

Semmelweis University, Doctoral School of Theoretical and Translational Medicine

Supervisor

Tamás Hegedűs

Publication of my abstract

I give consent to the publication of my abstract on the website of the congress.

Kind

Szabad

Status

elfogadva

Accepted presentation method

poszter

Előadás fájl jóváhagyás

nem rendelkezett róla

Előadó

7383

Start

10:48

End

10:53

Authors (legacy)

Odalys Torres1, Jian Xia2, Markus Geisler2, Tamás Hegedűs1,3

1 Department of Biophysics and Radiation Biology, Semmelweis University, Budapest, HU
2 Department of Biology, University of Fribourg, Fribourg, Switzerland
3 ELKH-SE Molecular Biophysics Research Group, ELKH, Budapest, HU