7UDX

Designed pentameric proton channel QLQL

7UDX の概要

• エントリーDOI: 10.2210/pdb7udx/pdb
• 分子名称: De novo designed pentameric proton channel QLQL, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate (3 entities in total)
• 機能のキーワード: proton transport, de novo designed, pentameric, membrane protein
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 15
• 化学式量合計: 46268.56

構造登録者

Kratochvil, H.T.,Thomaston, J.L.,Liu, L.,DeGrado, W.F. (登録日: 2022-03-20, 公開日: 2022-04-06, 最終更新日: 2023-10-25)

主引用文献

Kratochvil, H.T.,Watkins, L.C.,Mravic, M.,Thomaston, J.L.,Nicoludis, J.M.,Somberg, N.H.,Liu, L.,Hong, M.,Voth, G.A.,DeGrado, W.F.
Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15:1012-1021, 2023

PubMed Abstract: Selective proton transport through proteins is essential for forming and using proton gradients in cells. Protons are conducted along hydrogen-bonded 'wires' of water molecules and polar side chains, which, somewhat surprisingly, are often interrupted by dry apolar stretches in the conduction pathways, inferred from static protein structures. Here we hypothesize that protons are conducted through such dry spots by forming transient water wires, often highly correlated with the presence of the excess protons in the water wire. To test this hypothesis, we performed molecular dynamics simulations to design transmembrane channels with stable water pockets interspersed by apolar segments capable of forming flickering water wires. The minimalist designed channels conduct protons at rates similar to viral proton channels, and they are at least 10-fold more selective for H over Na. These studies inform the mechanisms of biological proton conduction and the principles for engineering proton-conductive materials.

PubMed: 37308712
DOI: 10.1038/s41557-023-01210-4

実験手法

X-RAY DIFFRACTION (2.99 Å)