MolNFT v1 · #177463 · protein
Structure of the ALPHA2A-adrenergic receptor goa signaling complex bound to dexmedetomidine
7EJA · Guanine nucleotide-binding protein G(O) subunit alpha: “Structure of the ALPHA2A-adrenergic receptor goa signaling complex bound to dexmedetomidine”. Electron microscopy, 1 ligand (CZX), 20 pockets (best druggability 0.81). MolNFT…
- PDB
- 7EJA
- Type
- protein
- Length
- 1,097 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(O) subunit alpha; Guanine nucleotide-binding protein…
- UniProt
- P09471, P62873, P59768, P08913
- Ligands
- CZX
- Pockets
- 20 · best druggability 0.81
Structure
electron microscopy · 5 distinct chains · 31% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(O) subunit alpha | protein | 210 | 41% helix, 14% strand | P09471 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 331 | 5% helix, 41% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 54 | 54% helix, 0% strand | P59768 |
| R | Alpha-2A adrenergic receptor | protein | 269 | 76% helix, 0% strand | P08913 |
| H | SCFV16 | protein | 233 | 3% helix, 42% strand | — |
Ligands and binding sites
- CZX · 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole · ligand · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1186 | 0.81 | 0.83 | 94 | empty |
| 2 | 876 | 0.77 | 0.80 | 76 | empty |
| 3 | 199 | 0.75 | 0.90 | 28 | CZX |
| 4 | 364 | 0.75 | 0.85 | 47 | empty |
| 5 | 91 | 0.69 | 0.92 | 21 | empty |
Interfaces
6 interfaces between chains.
- B–G · 1723 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1120 Ų buried · 5 hydrogen bonds · protein-protein
- A–R · 1013 Ų buried · 10 hydrogen bonds · protein-protein
- A–H · 554 Ų buried · 4 hydrogen bonds · protein-protein
- B–H · 397 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7EJA · Structure of the alpha2A-adrenergic receptor GoA signaling complex bound to… · the same entry in another collection · chain H against H, TM-score 1.00
- P62873 · 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 0.98
- P08913 · AlphaFold monomer V2.0 prediction for alpha-2A adrenergic receptor (P08913) · a predicted model of the same protein · chain R against A, TM-score 0.90
- P59768 · 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 0.85
- P09471 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(O) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.74
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 P09471
- Every structure of UniProt P62873
- Every structure of UniProt P59768
- Every structure of UniProt P08913
- Elsewhere: RCSB PDB 7EJA · PDBe 7EJA · UniProt P09471 · UniProt P62873 · UniProt P59768 · UniProt P08913
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