Skip to main content

Table 3 Ion approaches of external coordination site in K504 in silico mutants compared to OsHKT2;2-wt. The proportion of time which cations stay within 4 Å of coordination site forming residues. Time is expressed as a percentage during 100 ns MD simulations. In addition, the number of approaches per ion species is indicated

From: An extracellular cation coordination site influences ion conduction of OsHKT2;2

(% of MD) wt K504R K504Q K504A K504E
Residue Na+ K+ Na+ K+ Na+ K+ Na+ K+ Na+ K+
P71 1.9 0.3 0.5 1.4 6.0 4.4 1.9 0.3 3.2 1.0
D75 1.4 0.1 0.1 0.6 10.0 26.8 8.4 6.9 27.4 27.7
D501 1.8 0.5 2.5 3.2 12.9 13.8 9.6 7.3 16.0 11.6
K504X 1.5 0.2 0.2 0.4 8.0 21.2 0.02 24.0 38.7
No. of approaches 12 12 16 7 15 43 35 7 85 33