Table 5. Comparison of Distance of the Identified Interacting Residuesa from Contact Matrix Graphs of the Rhodopsin, CXCR4, and β1AR Helices and the Crystal Rhodopsin Dimer (1N3M), CXCR4 Dimer (4GPO), and the β1AR Dimer (3ODU).
receptor | helices | interacting residues | crystal structure distance (Å) | mean distance (Å) ± standard deviation |
---|---|---|---|---|
rhodopsin | TM1–TM2 | F1271.47–L2182.44 | 15.28 | 14.2 ± 4.07 |
M1191.39–D2242.50 | 9.01 | 10.32 ± 3.1 | ||
TM4–TM5 | F4184.48–L5215.51 | 12.07 | 9.18 ± 3.24 | |
T4194.49–L5215.51 | 14.77 | 8.13 ± 1.96 | ||
G4154.45–F5255.55 | 16.44 | 7.5 ± 2.3 | ||
H4114.41–Q5305.60 | 17.64 | 9.06 ± 3.34 | ||
CXCR4 | TM5–TM5 | F2015.40–V1985.37 | 7.37 | 15.55 ± 3.34 |
F2015.40–Q2005.39 | 11.03 | 13.7 ± 1.46 | ||
F2015.40–F2015.40 | 7.91 | 13.6 ± 2.89 | ||
F2015.40–Q2025.41 | 8.72 | 14.93 ± 3.13 | ||
F2015.40–I2045.43 | 12.14 | 13.11 ± 3.37 | ||
F2015.40–M2055.44 | 10.6 | 12.6 ± 4.96 | ||
β1AR | TM1–TM1 | W401.31–A421.33 | 12.21 | 15.28b |
W401.31–S451.36 | 12.41 | 17.5b | ||
W401.31–L461.37 | 13.84 | 18.3b | ||
M441.35–L461.37 | 9.8 | 13.46b | ||
A491.39–M481.38 | 8.86 | 5.39b | ||
L531.44–M481.38 | 12.19 | 5.01b | ||
L531.44–V511.40 | 10.75 | 4.9b | ||
L531.44–V521.41 | 11.13 | 5.2b | ||
L541.45–V511.40 | 13.9 | 5.09b | ||
TM4–TM5 | K1594.43–Y2315.58 | NDc | 9.01 ± 2.22 | |
W1664.50–Y2275.62 | NDc | 7.9 ± 1.99 |
Distances are measured from backbone to backbone.
Interactions were detected in only one replica in the ensemble.
Not determined (ND): The distances between TM4 and TM5 could not be measured due to the orientation of the dimer in the 4GPO crystal structure, which is submitted showing the TM1–TM2 dimer interface.