TABLE 5

Mobility of the sodium ion in root mean squared fluctuation (RMSF) in wild-type and mutant receptor and the occurrence in percent of direct interactions with the different residues coordinating the ion in the crystal structure along the simulation time.

RMSF values are means ± S.E.M.. of three separate 100-nanosecond simulations. Percent interaction occurrence values are means ±S.E.M. of three separate 100-nanosecond simulations.

Na+ MobilityNa+ Interactions
RMSF in Å% Occurrence with Indicated Residues
Asp522.50Ser913.39Asn2807.45
Wild type2.5 ± 0.389.6 ± 7.822.3 ± 10.328.7 ± 5.4
D52A2.5011.2 ± 0.3*1.1 ± 0.2*0 ± 0.0*
S91A3.391.8 ± 0.275.6 ± 5.925.5 ± 2.9
W246A6.482.5 ± 0.351.1 ± 7.9*17.1 ± 6.210.0 ± 4.3*
N280A7.452.6 ± 0.267.1 ± 0.7*12.4 ± 3.1
N284A7.492.6 ± 0.175.5 ± 7,33.8 ± 1.5*25.6 ± 17.9
  • Significantly different from control with *P < 0.05 (Student’s t test).