Research workbench
Crystal structure of the human BETA2 adrenergic receptor in complex with the neutral antagonist alprenolol
Analyse Crystal structure of the human BETA2 adrenergic receptor in complex with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NYA
- Type
- protein
- Length
- 439 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-2 adrenergic receptor, lysozyme
- UniProt
- P07550, P00720
- Ligands
- CLR, JTZ
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-2 adrenergic receptor, lysozyme | protein | 439 | 73% helix, 3% strand | P07550, P00720 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 2 copies · chains A
- JTZ · (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.77 | 0.87 | 41 | JTZ |
| 2 | 234 | 0.61 | 0.81 | 26 | empty |
| 3 | 220 | 0.48 | 0.74 | 29 | empty |
| 4 | 128 | 0.44 | 0.76 | 15 | empty |
| 5 | 80 | 0.32 | 0.73 | 17 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3NYA · Crystal structure of the human beta2 adrenergic receptor in complex with the neutral… · 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 0.66
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 3NYA · PDBe 3NYA · UniProt P07550 · UniProt P00720
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