MolNFT v1 · #177471 · protein
Structure of the ALPHA2A-adrenergic receptor goa signaling complex bound to oxymetazoline
7EJK · Guanine nucleotide-binding protein G(O) subunit alpha: “Structure of the ALPHA2A-adrenergic receptor goa signaling complex bound to oxymetazoline”. Electron microscopy, 1 ligand (J5C), 14 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 7EJK
- Type
- protein
- Length
- 1,093 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
- J5C
- Pockets
- 14 · best druggability 0.82
Structure
electron microscopy · 5 distinct chains · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(O) subunit alpha | protein | 215 | 42% helix, 16% strand | P09471 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 334 | 5% helix, 44% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 54 | 52% helix, 0% strand | P59768 |
| H | SCFV16 | protein | 233 | 5% helix, 37% strand | — |
| R | Alpha-2A adrenergic receptor | protein | 257 | 80% helix, 0% strand | P08913 |
Ligands and binding sites
- J5C · Oxymetazoline · ligand · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 937 | 0.82 | 0.84 | 71 | empty |
| 2 | 871 | 0.82 | 0.83 | 87 | empty |
| 3 | 840 | 0.80 | 0.83 | 73 | J5C |
| 4 | 101 | 0.76 | 0.96 | 25 | empty |
| 5 | 181 | 0.64 | 0.85 | 27 | empty |
Interfaces
6 interfaces between chains.
- B–G · 1827 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1184 Ų buried · 9 hydrogen bonds · protein-protein
- A–R · 822 Ų buried · 5 hydrogen bonds · protein-protein
- A–H · 552 Ų buried · 7 hydrogen bonds · protein-protein
- B–H · 421 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7EJK · Structure of the alpha2A-adrenergic receptor GoA signaling complex bound to oxymetazoline · the same entry in another collection · chain R against R, 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 0.99
- 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 0.91
- 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 0.89
- 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 0.76
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 7EJK · PDBe 7EJK · UniProt P09471 · UniProt P62873 · UniProt P59768 · UniProt P08913
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