Research workbench
Cryo-EM structure of human GABA(B) receptor bound to the antagonist CGP54626
Analyse Cryo-EM structure of human GABA(B) receptor bound to the antagonist CGP54626 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CUM
- Type
- protein
- Length
- 1,358 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
- CLR, UNL, 2BV
- Pockets
- 14 · best druggability 0.86
Structure
electron microscopy · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gamma-aminobutyric acid type B receptor subunit 1 | protein | 683 | 43% helix, 15% strand | Q9UBS5 |
| B | Gamma-aminobutyric acid type B receptor subunit 2 | protein | 675 | 50% helix, 15% strand | O75899 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 16 copies · chains A, B
- UNL · Unknown ligand · ligand · 2 copies · chains A, B
- 2BV · (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 947 | 0.86 | 0.87 | 65 | UNL |
| 2 | 1023 | 0.85 | 0.85 | 73 | UNL |
| 3 | 535 | 0.67 | 0.77 | 50 | 2BV |
| 4 | 413 | 0.65 | 0.78 | 59 | empty |
| 5 | 145 | 0.48 | 0.78 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1173 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 7CUM · Cryo-EM structure of human GABA(B) receptor bound to the antagonist CGP54626 · 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 0.94
- 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 0.84
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 7CUM · PDBe 7CUM · UniProt Q9UBS5 · UniProt O75899
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