MolNFT v1 · #159002 · protein
The BETA2 adrenergic receptor bound to a negative allosteric modulator
6OBA · Beta-2 adrenergic RECEPTOR,LYSOZYME,BETA-2 adrenergic…: “The BETA2 adrenergic receptor bound to a negative allosteric modulator”. X-ray diffraction, 3 ligands (CLR, JTZ, M3J), 4 pockets (best druggability 0.79). MolNFT v1 #159002 on…
- PDB
- 6OBA
- Type
- protein
- Length
- 440 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-2 adrenergic RECEPTOR,LYSOZYME,BETA-2 adrenergic receptor
- EC
- 3.2.1.17
- UniProt
- P07550, D9IEF7
- Ligands
- CLR, JTZ, M3J
- Pockets
- 4 · best druggability 0.79
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,BETA-2 adrenergic receptor (EC 3.2.1.17) | protein | 440 | 73% helix, 3% strand | P07550, D9IEF7 |
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
- M3J · 6-bromo-N~2~-phenylquinazoline-2,4-diamine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.79 | 0.90 | 42 | JTZ |
| 2 | 234 | 0.61 | 0.81 | 25 | empty |
| 3 | 192 | 0.52 | 0.78 | 28 | empty |
| 4 | 114 | 0.42 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6OBA · The beta2 adrenergic receptor bound to a negative allosteric modulator · 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 D9IEF7
- Elsewhere: RCSB PDB 6OBA · PDBe 6OBA · UniProt P07550 · UniProt D9IEF7
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