Hydration Mimicry by Membrane Ion Channels

被引:32
|
作者
Chaudhari, Mangesh I. [1 ]
Vanegas, Juan M. [1 ,2 ]
Pratt, L. R. [3 ]
Muralidharan, Ajay [3 ,4 ]
Rempe, Susan B. [1 ]
机构
[1] Sandia Natl Labs, Dept Computat Biol & Biophys, POB 5800, Albuquerque, NM 87185 USA
[2] Univ Vermont, Dept Phys, Burlington, VT 05405 USA
[3] Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA
[4] Univ Wisconsin, Dept Chem, 1101 Univ Ave, Madison, WI 53706 USA
关键词
biomolecular hydration mimicry; membrane ion channels; hydration of metal ions; hydration free energy; quasi-chemical theory; KcsA; MgtE; Ca(v)Ab; INITIO MOLECULAR-DYNAMICS; X-RAY-DIFFRACTION; QUASI-CHEMICAL THEORY; AB-INITIO; GAS-PHASE; POTASSIUM CHANNEL; FREE-ENERGY; K+ CHANNEL; SELECTIVITY FILTER; CRYSTAL-STRUCTURE;
D O I
10.1146/annurev-physchem-012320-015457
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Ions transiting biomembranes might pass readily from water through ion-specific membrane proteins if these protein channels provide environments similar to the aqueous solution hydration environment. Indeed, bulk aqueous solution is an important reference condition for the ion permeation process. Assessment of this hydration mimicry concept depends on understanding the hydration structure and free energies of metal ions in water in order to provide a comparison for the membrane channel environment. To refine these considerations, we review local hydration structures of ions in bulk water and the molecular quasi-chemical theory that provides hydration free energies. In doing so, we note some current views of ion binding to membrane channels and suggest new physical chemical calculations and experiments that might further clarify the hydration mimicry concept.
引用
收藏
页码:461 / 484
页数:24
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