Table 5.
Top 10 GPCR structures with the highest number of probe atoms overlapping the ligand ITD in the inactive-state, Class A chemokine receptor CXCR4, PDB 3ODU 27
| Class | IUPHAR name | PDB ID | Overlapping probe atoms | Volume, Å3 | RMSD, Å | Sequence similarity, % | Similarity score | Statea |
|---|---|---|---|---|---|---|---|---|
| A | CXCR4 | 3ODU | 213 | 403.5 | Inactive | |||
| A | DP2 | 6D26 | 329 | 380.2 | 1.8 | 57.4 | 0.368 | Inactive |
| A | DP2 | 6D27 | 286 | 409.4 | 1.8 | 56.0 | 0.410 | Inactive |
| A | A2A | 3REY | 253 | 362.7 | 5.7 | 52.3 | 0.465 | Inactive |
| A | OX1 | 4ZJ8 | 248 | 416.8 | 2.6 | 58.8 | 0.159 | Inactive |
| A | A2A | 3VG9 | 226 | 266.5 | 5.7 | 49.8 | 0.406 | Inactive |
| A | D4 | 6IQL | 219 | 340.3 | 6.1 | 55.2 | 0.327 | Inactive |
| A | OX1 | 6TP3 | 218 | 446.5 | 2.8 | 59.2 | 0.328 | Inactive |
| A | OX2 | 5WS3 | 217 | 436.8 | 2.1 | 57.8 | 0.232 | Inactive |
| A | A1 | 5UEN | 214 | 345.7 | 4.6 | 50.5 | 0.349 | Inactive |
| A | CXCR4 | 3OE8 | 211 | 253.5 | 0.6 | 99.3 | 0.170 | Inactive |
a
Activation states were included from GPCRDB, the categories are defined based on interhelical Cα distances.