MolNFT v1 · #174828 · protein
Cryo-EM structure of the BACLOFEN/BHFF-bound human GABA(B) receptor in active state
7C7Q · Gamma-aminobutyric acid type B receptor subunit 1: “Cryo-EM structure of the BACLOFEN/BHFF-bound human GABA(B) receptor in active state”. Electron microscopy, 3 ligands (FN0, 2C0, NAG), 20 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 7C7Q
- Type
- protein
- Length
- 1,348 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gamma-aminobutyric acid type B receptor subunit 1; Gamma-aminobutyric acid type B…
- UniProt
- Q9UBS5, O75899
- Ligands
- FN0, 2C0, NAG
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 2 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gamma-aminobutyric acid type B receptor subunit 1 | protein | 678 | 49% helix, 16% strand | Q9UBS5 |
| B | Gamma-aminobutyric acid type B receptor subunit 2 | protein | 670 | 51% helix, 16% strand | O75899 |
Ligands and binding sites
- FN0 · (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one · ligand · chains A, B
- 2C0 · baclofen · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 743 | 0.86 | 0.89 | 63 | empty |
| 2 | 549 | 0.85 | 0.90 | 57 | empty |
| 3 | 926 | 0.77 | 0.80 | 96 | empty |
| 4 | 415 | 0.73 | 0.83 | 59 | 2C0 |
| 5 | 60 | 0.61 | 0.91 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2034 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 glycan, 7 disulfide (N-glycosylation, disulfide).
Compared structures
- 7C7Q · Cryo-EM structure of the baclofen/BHFF-bound human GABA(B) receptor in active state · the same entry in another collection · chain A against A, TM-score 1.00
- O75899 · AlphaFold monomer V2.0 prediction for gamma-aminobutyric acid type B receptor subunit 2… · a predicted model of the same protein · chain B against A, TM-score 0.84
- Q9UBS5 · AlphaFold monomer V2.0 prediction for gamma-aminobutyric acid type B receptor subunit 1… · 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 Q9UBS5
- Every structure of UniProt O75899
- Elsewhere: RCSB PDB 7C7Q · PDBe 7C7Q · UniProt Q9UBS5 · UniProt O75899
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