Table 1.
Solvent accessible surface area (SASA)a of the ECS in C5aR, respectively compared with the CXCR1 and CXCR4. The SASA of the “site2” in C5aR is also compared with the “site2” observed in CXCR4.
| GPCRs (PDB) |
SASA (Å2) |
Active site residues | |
|---|---|---|---|
| ECS (No. of residues) | Site2 (No. of residues) | ||
| CXCR1 (2LNL) | 2286 (67) | ||
| CXCR4 (3OE0); Bound to cyclic peptide antagonist CVX15 | 3238 (60) | 606 (20) | [H1133.29, Y1163.32, T1173.33, D1714.60, D187, R188, F189, Y190, P191, D193, V1965.35, F1995.38, Q2005.39, D2626.58, L2666.62, E2777.28, H2817.32, I2847.35, S2857.36, E2887.39] |
| C5aR (Inactive) | 2739 (70) | ||
| C5aR (Meta-active); Bound to linear peptide agonist | 2660 (70) | 899 (23) | [T29, S30, N31, T32, R34, V35, Y174, R175, F182, P184, K185, V186, V190, D191, L268, E269, P270, S271, S272, F2757.28, L2767.29, L2787.31, N2797.32] |
a=SASA calculations are done using the default van der Waals radii with Ala–X–Ala template as reference in Naccess; TM residues shown in bold are numbered following Ballesteros–Weinstein system.