MolNFT v1 · #78899 · protein
Crystal structure of the BETA2 adrenergic receptor-gs protein complex
3SN6 · Guanine nucleotide-binding protein G(S) subunit alpha…: “Crystal structure of the BETA2 adrenergic receptor-gs protein complex”. X-ray diffraction, 1 ligand (P0G), 17 pockets (best druggability 0.83). MolNFT v1 #78899 on GenesisL1…
- PDB
- 3SN6
- Type
- protein
- Length
- 1,318 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(S) subunit alpha isoforms short; Guanine…
- EC
- 3.2.1.17
- UniProt
- P04896, P54311, P63212, P00720, P07550
- Ligands
- P0G
- Pockets
- 17 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 349 | 53% helix, 11% strand | P04896 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 340 | 8% helix, 47% strand | P54311 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 58 | 62% helix, 0% strand | P63212 |
| R | ENDOLYSIN,BETA-2 adrenergic receptor (EC 3.2.1.17) | protein | 443 | 75% helix, 2% strand | P00720, P07550 |
| N | Camelid antibody vhh fragment | protein | 128 | 5% helix, 43% strand | — |
Ligands and binding sites
- P0G · 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl) ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one · ligand · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 846 | 0.83 | 0.86 | 78 | empty |
| 2 | 1046 | 0.81 | 0.82 | 92 | empty |
| 3 | 1025 | 0.79 | 0.80 | 86 | empty |
| 4 | 986 | 0.77 | 0.79 | 68 | empty |
| 5 | 396 | 0.77 | 0.86 | 48 | P0G |
Interfaces
6 interfaces between chains.
- B–G · 2279 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1818 Ų buried · 33 hydrogen bonds · protein-protein
- A–R · 1330 Ų buried · 10 hydrogen bonds · protein-protein
- A–N · 883 Ų buried · 9 hydrogen bonds · protein-protein
- B–N · 627 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3SN6 · Crystal structure of the beta2 adrenergic receptor-Gs protein complex · the same entry in another collection · chain N against N, 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
- 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 0.70
- P07550 · AlphaFold monomer V2.0 prediction for beta-2 adrenergic receptor (P07550) · a predicted model of the same protein · chain R against A, TM-score 0.62
- P04896 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(S) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.60
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 P04896
- Every structure of UniProt P54311
- Every structure of UniProt P63212
- Every structure of UniProt P00720
- Every structure of UniProt P07550
- Elsewhere: RCSB PDB 3SN6 · PDBe 3SN6 · UniProt P04896 · UniProt P54311 · UniProt P63212 · UniProt P00720 · UniProt P07550
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