Ion channels are specialized proteins located on the plasma membrane and control the movement of ions across the membrane. Zn ion plays an indispensable role as a structural constituent of various proteins, moreover, it plays an important dynamic role in cell signaling. In this chapter, we discuss computational insights into zinc efflux and influx mechanism through YiiP (from Escherichia coli and Shewanella oneidensis) and BbZIP (Bordetella bronchiseptica) transporters, respectively. Gaining knowledge about the mechanism of zinc transport at the molecular level can aid in developing treatments for conditions such as diabetes and cancer by manipulating extracellular and intracellular levels of zinc ions.
Keywords: MD simulations; YiiP transporters; ZIP transporters.
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