MolNFT v1 · #177856 · protein
Cryo-EM structure of S1P-bound sphingosine 1-phosphate receptor 3 in complex with gi protein
7EW3 · Guanine nucleotide-binding protein G(I) subunit alpha-1: “Cryo-EM structure of S1P-bound sphingosine 1-phosphate receptor 3 in complex with gi protein”. Electron microscopy, 2 ligands (PLM, S1P), 13 pockets (best druggability 0.82).…
- PDB
- 7EW3
- Type
- protein
- Length
- 1,149 residues
- Chains
- 5
- 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, Q99500
- Ligands
- PLM, S1P
- Pockets
- 13 · best druggability 0.82
Structure
electron microscopy · 5 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 226 | 40% helix, 19% strand | P63096 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 340 | 8% helix, 46% strand | P62873 |
| C | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 61 | 54% helix, 0% strand | P59768 |
| R | Sphingosine 1-phosphate receptor 3 | protein | 290 | 76% helix, 0% strand | Q99500 |
| S | SCFV16 | protein | 232 | 3% helix, 45% strand | — |
Ligands and binding sites
- PLM · Palmitic acid · ligand · 4 copies · chains R
- S1P · (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate · ligand · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 950 | 0.82 | 0.83 | 67 | empty |
| 2 | 615 | 0.79 | 0.84 | 57 | S1P |
| 3 | 946 | 0.73 | 0.77 | 74 | empty |
| 4 | 84 | 0.65 | 0.91 | 27 | empty |
| 5 | 341 | 0.60 | 0.77 | 35 | empty |
Interfaces
6 interfaces between chains.
- B–C · 2273 Ų buried · 8 hydrogen bonds · protein-protein
- A–R · 1340 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1161 Ų buried · 12 hydrogen bonds · protein-protein
- A–S · 582 Ų buried · 5 hydrogen bonds · protein-protein
- B–S · 420 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7EW3 · Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi… · the same entry in another collection · chain S against S, 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
- Q99500 · AlphaFold monomer V2.0 prediction for sphingosine 1-phosphate receptor 3 (Q99500) · 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 C against A, TM-score 0.83
- 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 0.82
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 Q99500
- Elsewhere: RCSB PDB 7EW3 · PDBe 7EW3 · UniProt P63096 · UniProt P62873 · UniProt P59768 · UniProt Q99500
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