MolNFT v1 · #74562 · protein
Structure of a nanobody-stabilized active state of the BETA2 adrenoceptor
3P0G · Beta-2 adrenergic receptor, lysozyme: “Structure of a nanobody-stabilized active state of the BETA2 adrenoceptor”. X-ray diffraction, 1 ligand (P0G), 6 pockets (best druggability 0.74). MolNFT v1 #74562 on GenesisL1: 3D structure…
- PDB
- 3P0G
- Type
- protein
- Length
- 405 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-2 adrenergic receptor, lysozyme; Camelid antibody fragment
- EC
- 3.2.1.17
- UniProt
- P07550, P00720
- Ligands
- P0G
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-2 adrenergic receptor, lysozyme (EC 3.2.1.17) | protein | 284 | 81% helix, 0% strand | P07550, P00720 |
| B | Camelid antibody fragment | protein | 121 | 0% helix, 56% strand | — |
Ligands and binding sites
- P0G · 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl) ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 366 | 0.74 | 0.84 | 45 | P0G |
| 2 | 196 | 0.55 | 0.79 | 33 | empty |
| 3 | 150 | 0.53 | 0.80 | 20 | empty |
| 4 | 149 | 0.44 | 0.75 | 22 | empty |
| 5 | 72 | 0.32 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 922 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3P0G · Structure of a nanobody-stabilized active state of the beta2 adrenoceptor · the same entry in another collection · chain A against A, TM-score 1.00
- P07550 · AlphaFold monomer V2.0 prediction for beta-2 adrenergic receptor (P07550) · a predicted model of the same protein · chain A against A, TM-score 0.94
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P07550
- Every structure of UniProt P00720
- Elsewhere: RCSB PDB 3P0G · PDBe 3P0G · UniProt P07550 · UniProt P00720
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