MolNFT v1 · #55194 · protein
Turkey BETA1 adrenergic receptor with stabilising mutations and bound antagonist carazolol
2YCW · Beta-1 adrenergic receptor: “Turkey BETA1 adrenergic receptor with stabilising mutations and bound antagonist carazolol”. X-ray diffraction, 3 ligands (2CV, CAU, NA), 10 pockets (best druggability 0.83). MolNFT v1 #55194 on…
- PDB
- 2YCW
- Type
- protein
- Length
- 594 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1 adrenergic receptor
- UniProt
- P07700
- Ligands
- 2CV, CAU, NA
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-1 adrenergic receptor | protein | 297 | 79% helix, 0% strand | P07700 |
Ligands and binding sites
- 2CV · Hega-10 · ligand · 5 copies · chains A, B
- CAU · (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.83 | 0.83 | 73 | 2CV |
| 2 | 456 | 0.75 | 0.84 | 45 | CAU |
| 3 | 444 | 0.75 | 0.84 | 42 | CAU |
| 4 | 317 | 0.64 | 0.80 | 29 | empty |
| 5 | 212 | 0.59 | 0.80 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 679 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2YCW · Turkey BETA1 adrenergic receptor with stabilising mutations and bound antagonist carazolol · 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 2YCW · PDBe 2YCW · UniProt P07700
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