MolNFT v1 · #150900 · protein
Activated turkey BETA1 adrenoceptor with bound agonist isoprenaline and nanobody NB80
6H7J · Thioredoxin 1: “Activated turkey BETA1 adrenoceptor with bound agonist isoprenaline and nanobody NB80”. X-ray diffraction, 3 ligands (2CV, 5FW, NA), 12 pockets (best druggability 0.80). MolNFT v1 #150900 on GenesisL1: 3D structure…
- PDB
- 6H7J
- Type
- protein
- Length
- 1,021 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin 1; Beta-1 adrenergic receptor; Camelid antibody fragment NB80
- UniProt
- P0AA25, P07700
- Ligands
- 2CV, 5FW, NA
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 6 distinct chains · 54% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Thioredoxin 1 | protein | 106 | 34% helix, 25% strand | P0AA25 |
| A | Beta-1 adrenergic receptor | protein | 290 | 81% helix, 0% strand | P07700 |
| C | Camelid antibody fragment NB80 | protein | 119 | 5% helix, 54% strand | — |
| F | Thioredoxin 1 | protein | 106 | 35% helix, 25% strand | P0AA25 |
| B | Beta-1 adrenergic receptor | protein | 280 | 84% helix, 0% strand | P07700 |
| D | Camelid antibody fragment NB80 | protein | 120 | 5% helix, 53% strand | — |
Ligands and binding sites
- 2CV · Hega-10 · ligand · 5 copies · chains A, B
- 5FW · Isoprenaline · 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
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 598 | 0.80 | 0.85 | 77 | 5FW, 2CV |
| 2 | 351 | 0.71 | 0.83 | 50 | 5FW |
| 3 | 346 | 0.67 | 0.80 | 37 | empty |
| 4 | 366 | 0.64 | 0.79 | 45 | empty |
| 5 | 290 | 0.62 | 0.79 | 39 | empty |
Interfaces
7 interfaces between chains.
- A–C · 1228 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 1142 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 580 Ų buried · 2 hydrogen bonds · protein-protein
- F–B · 170 Ų buried · 2 hydrogen bonds · protein-protein
- A–F · 144 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6H7J · ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST ISOPRENALINE AND NANOBODY Nb80 · the same entry in another collection · chain D against D, TM-score 1.00
- P0AA25 · AlphaFold monomer V2.0 prediction for thioredoxin 1 (P0AA25) · a predicted model of the same protein · chain E against A, TM-score 0.98
- 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 0.92
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 P0AA25
- Every structure of UniProt P07700
- Elsewhere: RCSB PDB 6H7J · PDBe 6H7J · UniProt P0AA25 · UniProt P07700
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.