Research workbench
Solabegron-activated dog BETA3 adrenergic receptor
Analyse Solabegron-activated dog BETA3 adrenergic receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7XJI
- Type
- protein
- Length
- 1,027 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(S) subunit alpha isoforms short; Guanine…
- UniProt
- P63092, P54311, O02662, P63212
- Ligands
- EI5
- Pockets
- 16 · best druggability 0.80
Structure
electron microscopy · 5 distinct chains · 36% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 231 | 44% helix, 16% strand | P63092 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 340 | 8% helix, 41% strand | P54311 |
| N | Nanobody-35 | protein | 128 | 5% helix, 41% strand | — |
| R | Beta-3 adrenergic receptor | protein | 276 | 74% helix, 0% strand | O02662 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 52 | 56% helix, 0% strand | P63212 |
Ligands and binding sites
- EI5 · 3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid · ligand · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 652 | 0.80 | 0.85 | 52 | empty |
| 2 | 1014 | 0.76 | 0.79 | 76 | empty |
| 3 | 335 | 0.74 | 0.85 | 40 | EI5 |
| 4 | 572 | 0.72 | 0.80 | 73 | empty |
| 5 | 176 | 0.72 | 0.89 | 32 | empty |
Interfaces
6 interfaces between chains.
- B–G · 2082 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1509 Ų buried · 19 hydrogen bonds · protein-protein
- A–R · 1269 Ų buried · 10 hydrogen bonds · protein-protein
- A–N · 788 Ų buried · 3 hydrogen bonds · protein-protein
- B–N · 442 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7XJI · Solabegron-activated dog beta3 adrenergic receptor · the same entry in another collection · chain G against G, TM-score 1.00
- P54311 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.99
- O02662 · AlphaFold monomer V2.0 prediction for beta-3 adrenergic receptor (O02662) · a predicted model of the same protein · chain R against A, TM-score 0.92
- P63212 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.65
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 P63092
- Every structure of UniProt P54311
- Every structure of UniProt O02662
- Every structure of UniProt P63212
- Elsewhere: RCSB PDB 7XJI · PDBe 7XJI · UniProt P63092 · UniProt P54311 · UniProt O02662 · UniProt P63212
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