MolNFT v1 · #109706 · protein
MGLUR2 ecd ligand complex
4XAS · Metabotropic glutamate receptor 2: “MGLUR2 ecd ligand complex”. X-ray diffraction, 1 ligand (40H), 10 pockets (best druggability 0.83). MolNFT v1 #109706 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XAS
- Type
- protein
- Length
- 878 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metabotropic glutamate receptor 2
- UniProt
- Q14416
- Ligands
- 40H
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metabotropic glutamate receptor 2 | protein | 440 | 35% helix, 19% strand | Q14416 |
| B | Metabotropic glutamate receptor 2 | protein | 438 | 37% helix, 20% strand | Q14416 |
Ligands and binding sites
- 40H · (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 978 | 0.83 | 0.84 | 124 | 40H |
| 2 | 106 | 0.78 | 0.98 | 23 | 40H |
| 3 | 255 | 0.57 | 0.78 | 38 | empty |
| 4 | 121 | 0.51 | 0.81 | 25 | empty |
| 5 | 114 | 0.48 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 715 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 4XAS · PDBe 4XAS · UniProt Q14416
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