Probing the formation of a hetero-dimeric membrane transport complex with dual <i>in vitro</i> and <i>in silico</i> mutagenesis-Reference-Cited by-同舟云学术

Probing the formation of a hetero-dimeric membrane transport complex with dual in vitro and in silico mutagenesis

Published:2024 Issue:35 Volume:15 Page:14310-14322
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Rathod Nishadh¹^ORCID,Lemieux M. Joanne¹^ORCID,Chipot Christophe²³⁴^ORCID,Roux Benoît²^ORCID,Young Howard S.¹^ORCID

Affiliation:

1. Department of Biochemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2H7

2. Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, USA 60637

3. Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche no. 7019, Université de Lorraine, B.P. 70239, 54506 Vandœuvre-lès-Nancy Cedex, France

4. Theoretical and Computational Biophysics Group, Beckman Institute, Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

Abstract

Free-energy perturbation simulations transform residues of phospholamban into alanine (e.g. Leu44 to Ala44). Free-energy calculations provide insights into the formation of a hetero-dimeric membrane transport complex.

Funder

Natural Sciences and Engineering Research Council of Canada

Canadian Institutes of Health Research

National Science Foundation

National Heart, Lung, and Blood Institute

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D4SC02915A

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