MolNFT v1 · #189749 · protein
Cryo-EM structure of a class a orphan GPCR
7VUH · Isoform gnas-2 of guanine nucleotide-binding protein G(S)…: “Cryo-EM structure of a class a orphan GPCR”. Electron microscopy, 1 ligand (7ZQ), 13 pockets (best druggability 0.81). MolNFT v1 #189749 on GenesisL1: 3D structure…
- PDB
- 7VUH
- Type
- protein
- Length
- 1,042 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform gnas-2 of guanine nucleotide-binding protein G(S) subunit alpha isoforms short…
- EC
- 3.2.1.8
- UniProt
- P62873, P59768, Q6DWJ6
- Ligands
- 7ZQ
- Pockets
- 13 · best druggability 0.81
Structure
electron microscopy · 5 distinct chains · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform gnas-2 of guanine nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 239 | 43% helix, 18% strand | — |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 8% helix, 43% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 57 | 54% helix, 0% strand | P59768 |
| N | Nanobody 35 | protein | 126 | 2% helix, 40% strand | — |
| R | Chimera of endo-1,4-beta-xylanase and probable G-protein coupled receptor 139 (EC 3.2.1.8) | protein | 282 | 72% helix, 0% strand | Q6DWJ6 |
Ligands and binding sites
- 7ZQ · 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide · 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 636 | 0.81 | 0.85 | 57 | empty |
| 2 | 1110 | 0.78 | 0.80 | 71 | empty |
| 3 | 566 | 0.78 | 0.84 | 52 | 7ZQ |
| 4 | 630 | 0.75 | 0.81 | 74 | empty |
| 5 | 95 | 0.73 | 0.96 | 22 | empty |
Interfaces
6 interfaces between chains.
- B–G · 2112 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1471 Ų buried · 19 hydrogen bonds · protein-protein
- A–R · 1226 Ų buried · 12 hydrogen bonds · protein-protein
- A–N · 917 Ų buried · 12 hydrogen bonds · protein-protein
- B–N · 491 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7VUH · Cryo-EM structure of a class A orphan GPCR · 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
- 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 0.97
- Q6DWJ6 · AlphaFold monomer V2.0 prediction for probable G-protein coupled receptor 139 (Q6DWJ6) · a predicted model of the same protein · chain R against A, TM-score 0.88
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 Q6DWJ6
- Elsewhere: RCSB PDB 7VUH · PDBe 7VUH · UniProt P62873 · UniProt P59768 · UniProt Q6DWJ6
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