MolNFT v1 · #176956 · protein
Aripiprazole-bound serotonin 1A (5-HT1A) receptor-gi protein complex
7E2Z · Guanine nucleotide-binding protein G(I) subunit alpha-1: “Aripiprazole-bound serotonin 1A (5-HT1A) receptor-gi protein complex”. Electron microscopy, 3 ligands (CLR, 9SC, J40), 10 pockets (best druggability 0.83). MolNFT v1 #176956…
- PDB
- 7E2Z
- Type
- protein
- Length
- 870 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(I) subunit alpha-1; Guanine nucleotide-binding…
- UniProt
- P63096, P62873, P59768, P08908
- Ligands
- CLR, 9SC, J40
- Pockets
- 10 · best druggability 0.83
Structure
electron microscopy · 4 distinct chains · 44% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 219 | 50% helix, 18% strand | P63096 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 328 | 5% helix, 49% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 45 | 47% helix, 0% strand | P59768 |
| R | Soluble cytochrome B562,5-hydroxytryptamine receptor 1A | protein | 278 | 85% helix, 0% strand | P08908 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 3 copies · chains R
- 9SC · 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one · ligand · chains R
- J40 · [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E, 8E)-hexadeca-5,8,11,14-tetraenoate · ligand · chains A, R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 897 | 0.83 | 0.85 | 68 | empty |
| 2 | 613 | 0.80 | 0.85 | 41 | 9SC |
| 3 | 773 | 0.68 | 0.75 | 66 | empty |
| 4 | 223 | 0.64 | 0.83 | 27 | empty |
| 5 | 187 | 0.52 | 0.78 | 29 | empty |
Interfaces
4 interfaces between chains.
- B–G · 1884 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1214 Ų buried · 11 hydrogen bonds · protein-protein
- A–R · 1175 Ų buried · 4 hydrogen bonds · protein-protein
- B–R · 134 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7E2Z · Aripiprazole-bound serotonin 1A (5-HT1A) receptor-Gi protein complex · 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
- P08908 · AlphaFold monomer V2.0 prediction for 5-hydroxytryptamine receptor 1A (P08908) · a predicted model of the same protein · chain R against A, TM-score 0.89
- 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 0.82
- P63096 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.80
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 P63096
- Every structure of UniProt P62873
- Every structure of UniProt P59768
- Every structure of UniProt P08908
- Elsewhere: RCSB PDB 7E2Z · PDBe 7E2Z · UniProt P63096 · UniProt P62873 · UniProt P59768 · UniProt P08908
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