Extended Data Table 3.
Binding pocket volume comparison and r.m.s.d. analysis of solved representative agonist- and antagonist-bound pairs of seven class A GPCRs
| GPCRs | Agonist-bound Structures |
Binding Pocket Volume (Å3) |
Antagonist-bound Structures |
Binding Pocket Volume (Å3) |
RMSD (Å) of transmembrane helices |
|
|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 (CB1) | Agonist (PDB:5XRA) | 383.5 | Antagonist (PDB:5TGZ) | 821.8 | E | 2.50 |
| I | 3.07 | |||||
|
| ||||||
| β2-adrenergic receptor | Agonist (PDB:3SN6) | 469.7 | Inverse agonist (PDB:3NY8) | 670.9 | E | 1.13 |
| I | 3.40 | |||||
|
|
|
|||||
| Agonist (PDB:4LDL) | 670.9 | E | 1.19 | |||
| I | 2.96 | |||||
|
| ||||||
| µ-opioid receptor | Agonist (PDB:5C1M) | 576.6 | Antagonist (PDB:4DKL) | 586.5 | E | 1.49 |
| I | 3.04 | |||||
|
| ||||||
| M2 muscarinic receptor | Agonist (PDB:4MQS) | 114.6 | Antagonist (PDB:3UON) | 320.7 | E | 1.99 |
| I | 3.17 | |||||
|
| ||||||
| Rhodopsin | Agonist (PDB:2X72) | 342.3 | Antagonist (PDB:1U19) | 214.7 | E | 1.72 |
| I | 3.19 | |||||
|
|
|
|||||
| Arrestin (PDB:4ZWJ) | 373.8 | E | 1.56 | |||
| I | 3.24 | |||||
|
| ||||||
| A2A adenosine receptor | Agonist (PDB:3QAK) | 445.2 | Antagonist (PDB:4EIY) | 461.0 | E | 1.58 |
| I | 2.23 | |||||
|
|
|
|||||
| Agonist (PDB:5G53) | 288.8 | E | 1.12 | |||
| I | 3.28 | |||||
|
| ||||||
| P2Y purinoreceptor 12 (P2Y12) | Agonist (PDB:4PXZ) | 298.8 | Antagonist (PDB:4NTJ) | 392.7 | E | 2.13 |
| I | 0.93 | |||||
E: RMSD of extracellular side helices I: RMSD of intracellular side helices