MolNFT v1 · #165127 · protein
Phosphorylated turkey BETA1 adrenoceptor with bound agonist formoterol coupled to arrestin-2 in lipid nanodisc.
6TKO · Beta-1 adrenergic receptor: “Phosphorylated turkey BETA1 adrenoceptor with bound agonist formoterol coupled to arrestin-2 in lipid…”. Electron microscopy, 1 ligand (H98), 11 pockets (best druggability 0.76). MolNFT v1 #165127 on…
- PDB
- 6TKO
- Type
- protein
- Length
- 1,052 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1 adrenergic receptor; Beta-arrestin-1; FAB30 heavy chain; FAB30 light chain
- UniProt
- P07700, P49407
- Ligands
- H98
- Pockets
- 11 · best druggability 0.76
Structure
electron microscopy · 4 distinct chains · 25% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-1 adrenergic receptor | protein | 293 | 79% helix, 1% strand | P07700 |
| B | Beta-arrestin-1 | protein | 344 | 4% helix, 43% strand | P49407 |
| H | FAB30 heavy chain | protein | 204 | 1% helix, 51% strand | — |
| L | FAB30 light chain | protein | 211 | 7% helix, 49% strand | — |
Ligands and binding sites
- H98 · ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1126 | 0.76 | 0.78 | 83 | empty |
| 2 | 293 | 0.72 | 0.85 | 44 | H98 |
| 3 | 572 | 0.64 | 0.75 | 51 | empty |
| 4 | 501 | 0.64 | 0.76 | 54 | empty |
| 5 | 287 | 0.55 | 0.77 | 36 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2336 Ų buried · 36 hydrogen bonds · protein-protein
- H–L · 1666 Ų buried · 6 hydrogen bonds · protein-protein
- B–H · 657 Ų buried · 7 hydrogen bonds · protein-protein
- B–L · 145 Ų buried · 1 hydrogen bond · protein-protein
- A–L · 103 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 6 modified (disulfide, phosphorylation).
Compared structures
- 6TKO · Phosphorylated turkey beta1 adrenoceptor with bound agonist formoterol coupled to… · 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 A against A, TM-score 0.90
- P49407 · AlphaFold monomer V2.0 prediction for beta-arrestin-1 (P49407) · a predicted model of the same protein · chain B against A, TM-score 0.88
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
- Every structure of UniProt P49407
- Elsewhere: RCSB PDB 6TKO · PDBe 6TKO · UniProt P07700 · UniProt P49407
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