학술논문

Instantaneous ion configurations in the K+ ion channel selectivity filter revealed by 2D IR spectroscopy.
Document Type
Article
Source
Science; 9/2/2016, Vol. 353 Issue 6303, p1040-1044, 5p, 1 Diagram, 3 Graphs
Subject
Potassium channels
Infrared spectroscopy
Cell membranes
Molecular dynamics
Water
Ion channels
Conformational analysis
Language
ISSN
00368075
Abstract
Potassium channels are responsible for the selective permeation of K+ ions across cell membranes. K+ ions permeate in single file through the selectivity filter, a narrow pore lined by backbone carbonyls that compose four K+ binding sites. Here, we report on the two-dimensional infrared (2D IR) spectra of a semisynthetic KcsA channel with site-specific heavy (13C18O) isotope labels in the selectivity filter. The ultrafast time resolution of 2D IR spectroscopy provides an instantaneous snapshot of the multi-ion configurations and structural distributions that occur spontaneously in the filter. Two elongated features are resolved, revealing the statistical weighting of two structural conformations. The spectra are reproduced by molecular dynamics simulations of structures with water separating two K+ ions in the binding sites, ruling out configurations with ions occupying adjacent sites. [ABSTRACT FROM AUTHOR]