TY - GEN
T1 - Role of Gluex in the Ion Exchange Mechanism of CLCF F−/H+ Antiporter
AU - Nakamura, Akihiro
AU - Tokumasu, Takashi
AU - Mabuchi, Takuya
N1 - Publisher Copyright:
© 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.
PY - 2023
Y1 - 2023
N2 - In recent years, the construction of artificial cells using molecular robots have attracted much attention. In order to achieve selective transport of multiple ion species in artificial ion channels, it is essential to understand the mechanism of ion transport in antiporters and symporters of natural membrane proteins. The CLCF F−/H+ Antiporter (CLCF) has been attracting attention for its ability to specifically transport F− as an antiporter. The CLCF exchanges intracellular F− with extracellular H+ and releases F− from the cell when bacteria's intracellular F− concentration reaches the toxic concentration of 10–100 μM. On the other hand, it has been reported that certain drugs inhibit bacterial growth by regulating membrane transport proteins and decreasing ion transport function. Regulation of CLCF is also expected to inhibit bacterial growth, andit is necessary to understand the ion exchange mechanism for the regulation of CLCF. The structure of CLCF is similar to that of CLC-ec1, which exchanges Cl− and H+. The CLC-ec1utilizes Gluex for ion exchange, and CLCF also possesses Gluex and is thought to contribute to ion exchange. However, the role of Gluex in the ion exchange mechanism is still unclear. In this study, we performed MD simulations to investigate the role of Gluex in the ion exchange mechanism of the CLCF protein by analyzing the relationship between Gluex and surrounding Gluex structures in the different states of Gluex.
AB - In recent years, the construction of artificial cells using molecular robots have attracted much attention. In order to achieve selective transport of multiple ion species in artificial ion channels, it is essential to understand the mechanism of ion transport in antiporters and symporters of natural membrane proteins. The CLCF F−/H+ Antiporter (CLCF) has been attracting attention for its ability to specifically transport F− as an antiporter. The CLCF exchanges intracellular F− with extracellular H+ and releases F− from the cell when bacteria's intracellular F− concentration reaches the toxic concentration of 10–100 μM. On the other hand, it has been reported that certain drugs inhibit bacterial growth by regulating membrane transport proteins and decreasing ion transport function. Regulation of CLCF is also expected to inhibit bacterial growth, andit is necessary to understand the ion exchange mechanism for the regulation of CLCF. The structure of CLCF is similar to that of CLC-ec1, which exchanges Cl− and H+. The CLC-ec1utilizes Gluex for ion exchange, and CLCF also possesses Gluex and is thought to contribute to ion exchange. However, the role of Gluex in the ion exchange mechanism is still unclear. In this study, we performed MD simulations to investigate the role of Gluex in the ion exchange mechanism of the CLCF protein by analyzing the relationship between Gluex and surrounding Gluex structures in the different states of Gluex.
KW - Ion exchange mechanism
KW - Membrane transport protein
KW - Molecular dynamics simulation
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U2 - 10.1007/978-3-031-02097-1_1
DO - 10.1007/978-3-031-02097-1_1
M3 - Conference contribution
AN - SCOPUS:85137022733
SN - 9783031020964
T3 - Mechanisms and Machine Science
SP - 1
EP - 11
BT - Computational and Experimental Simulations in Engineering - Proceedings of ICCES 2022
A2 - Dai, Honghua
PB - Springer Science and Business Media B.V.
T2 - 28th International Conference on Computational and Experimental Engineering and Sciences, ICCES 2022
Y2 - 8 January 2022 through 12 January 2022
ER -