Water, Solute, and Ion Transport in De Novo-Designed Membrane Protein Channels

Yuhao Li; Bradley S. Harris; Zhongwu Li; Chenyang Shi; Jobaer Abdullah; Sagardip Majumder; Samuel Berhanu; Anastassia A. Vorobieva; Sydney K. Myers; Jeevapani Hettige; Marcel D. Baer; James J. De Yoreo; David Baker; Aleksandr Noy

doi:10.1021/acsnano.4c11317

journal article·2025-01-21Open access

Water, Solute, and Ion Transport in De Novo-Designed Membrane Protein Channels

Yuhao Li, Bradley S. Harris, Zhongwu Li, Chenyang Shi, Jobaer Abdullah, Sagardip Majumder, Samuel Berhanu, Anastassia A. Vorobieva, Sydney K. Myers, Jeevapani Hettige, Marcel D. Baer, James J. De Yoreo, David Baker, Aleksandr Noy

ACS Nano· Volume 19· Issue 2

Publisher page Open full text

Source abstract

Abstract

Biological organisms engineer peptide sequences to fold into membrane pore proteins capable of performing a wide variety of transport functions. Synthetic de novo-designed membrane pores can mimic this approach to achieve a potentially even larger set of functions. Here we explore water, solute, and ion transport in three de novo designed β-barrel membrane channels in the 5-10 Å pore size range. We show that these proteins form passive membrane pores with high water transport efficiencies and size rejection characteristics consistent with the pore size encoded in the protein structure. Ion conductance and ion selectivity measurements also show trends consistent with the pore size, with the two larger pores showing weak cation selectivity. MD simulations of water and ion transport and solute size exclusion are consistent with the experimental trends and provide further insights into structure-function correlations in these membrane pores.

Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Nanopore and Nanochannel Transport Studies · Advanced biosensing and bioanalysis techniques · Lipid Membrane Structure and Behavior

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Materials Science Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States

Physical Science Division, Pacific Northwest National Laboratory, Richland, Washington 99354, United States

School of Natural Sciences, University of California Merced, Merced, California 95343, United States

Institute for Protein Design, University of Washington, Seattle, Washington 98195, United States

Department of Biochemistry, University of Washington, Seattle, Washington 98195, United States

Structural Biology Brussel, Vrije Universiteit Brussel, Brussels 1050, Belgium

VUB-VIB Center for Structural Biology, Brussels 1050, Belgium

Howard Hughes Medical Institute, University of Washington, Seattle, Washington 98195, United States

Funding

Basic Energy Sciences

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