MolNFT v1 · #85772 · protein
Turkey BETA1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol
4AMI · Beta-1 adrenergic receptor: “Turkey BETA1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol”. X-ray diffraction, 2 ligands (2CV, G90), 9 pockets (best druggability 0.82). MolNFT v1 #85772 on…
- PDB
- 4AMI
- Type
- protein
- Length
- 570 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1 adrenergic receptor
- UniProt
- P07700
- Ligands
- 2CV, G90
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-1 adrenergic receptor | protein | 282 | 82% helix, 0% strand | P07700 |
| B | Beta-1 adrenergic receptor | protein | 288 | 84% helix, 0% strand | P07700 |
Ligands and binding sites
- 2CV · Hega-10 · ligand · 5 copies · chains A, B
- G90 · 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 993 | 0.82 | 0.83 | 61 | 2CV |
| 2 | 469 | 0.73 | 0.82 | 44 | G90 |
| 3 | 537 | 0.73 | 0.81 | 42 | G90 |
| 4 | 330 | 0.63 | 0.79 | 26 | empty |
| 5 | 317 | 0.62 | 0.79 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 640 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4AMI · Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist… · the same entry in another collection · chain A against A, TM-score 1.00
- P07700 · AlphaFold monomer V2.0 prediction for beta-1 adrenergic receptor (P07700) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P07700
- Elsewhere: RCSB PDB 4AMI · PDBe 4AMI · UniProt P07700
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