Table 1. Frequency of the contacts between the sodium ion and the receptor coordinating atoms.
Atom | CXCR4 | CCR5 |
---|---|---|
D2.50:OD1 | 0.99 ± 0.01 | 0.59± 0.24 |
D2.50:OD2 | 0.01 ± 0.01 | 0.41 ± 0.12 |
N3.35:OD1/G3.35:O | 0.98 ± 0.02 | < 0.1 |
S3.39:OG/S2.49:OG | 0.99 ± 0.01 | <0.1 |
H7.45:NE2 | 0.99 ± 0.01 | 0.68 ± 0.20 |
N7.49:OD1 | 0 | 0.17 ± 0.13 |
The data represent the frequency of frames with the sodium ion within contact distance of the receptor coordinating atoms (threshold of 3 Å). Data reported are the average ± standard deviations of the CXCR4 and CCR5 replicates.