MolNFT v2 · #226433 · protein
Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex
8ZSV · Guanine nucleotide-binding protein G(s) subunit alpha…: “Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex”. Electron microscopy at 2.96, 1 ligand (A1D8X), 14 pockets (best druggability 0.80). MolNFT v2 #226433 on…
- PDB
- 8ZSV
- Type
- protein
- Length
- 1,032 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.96
- Source
- Escherichia coli; Homo sapiens; Lama glama; Mus musculus
- Molecule
- Guanine nucleotide-binding protein G(s) subunit alpha isoforms short; Guanine…
- UniProt
- P62873, P59768, P0ABE7, Q923Y8
- Ligands
- A1D8X
- Pockets
- 14 · best druggability 0.80
Structure
electron microscopy · resolution 2.96 · 5 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | protein | 229 | 42% helix, 13% strand | — |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 9% helix, 46% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 57 | 54% helix, 0% strand | P59768 |
| N | Nb35 | protein | 127 | 7% helix, 39% strand | — |
| R | Soluble cytochrome b562,Trace amine-associated receptor 1 | protein | 281 | 81% helix, 0% strand | P0ABE7, Q923Y8 |
Ligands and binding sites
- A1D8X · (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine · 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, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 567 | 0.80 | 0.86 | 52 | empty |
| 2 | 118 | 0.78 | 0.97 | 28 | A1D8X |
| 3 | 733 | 0.72 | 0.78 | 43 | empty |
| 4 | 855 | 0.71 | 0.76 | 72 | empty |
| 5 | 465 | 0.70 | 0.81 | 71 | empty |
Interfaces
6 interfaces between chains.
- B–G · 2222 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1436 Ų buried · 19 hydrogen bonds · protein-protein
- A–R · 1286 Ų buried · 9 hydrogen bonds · protein-protein
- A–N · 857 Ų buried · 9 hydrogen bonds · protein-protein
- B–N · 565 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 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
- 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 0.92
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain R against A, TM-score 0.27
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 P62873
- Every structure of UniProt P59768
- Every structure of UniProt P0ABE7
- Every structure of UniProt Q923Y8
- Elsewhere: RCSB PDB 8ZSV · PDBe 8ZSV · UniProt P62873 · UniProt P59768 · UniProt P0ABE7 · UniProt Q923Y8
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