Research workbench
MGLUR2 ecd and MGLUR3 ecd with ligands
Analyse MGLUR2 ecd and MGLUR3 ecd with ligands in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XAQ
- Type
- protein
- Length
- 885 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metabotropic glutamate receptor 2
- UniProt
- Q14416
- Ligands
- 40F, CL, SO4
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metabotropic glutamate receptor 2 | protein | 443 | 37% helix, 19% strand | Q14416 |
| B | Metabotropic glutamate receptor 2 | protein | 442 | 38% helix, 20% strand | Q14416 |
Ligands and binding sites
- 40F · (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 775 | 0.78 | 0.82 | 88 | empty |
| 2 | 84 | 0.73 | 0.97 | 26 | 40F |
| 3 | 76 | 0.73 | 0.97 | 26 | 40F |
| 4 | 127 | 0.59 | 0.84 | 21 | empty |
| 5 | 91 | 0.56 | 0.85 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 940 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
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 Q14416
- Elsewhere: RCSB PDB 4XAQ · PDBe 4XAQ · UniProt Q14416
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