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MGLUR2 ecd and MGLUR3 ecd complex with ligands

Analyse MGLUR2 ecd and MGLUR3 ecd complex with ligands in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4XAR
Type
protein
Length
445 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metabotropic glutamate receptor 3
UniProt
Q14832
Ligands
40F, IOD
Pockets
5 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMetabotropic glutamate receptor 3protein44536% helix, 21% strandQ14832

Ligands and binding sites

  • 40F · (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid · ligand · chains A
  • IOD · Iodide ion · ion · 8 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11550.670.883840F, IOD
24300.640.7747IOD
31130.600.8630empty
4820.430.8025empty
5520.300.7715empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 4XAR · mGluR2 ECD and mGluR3 ECD complex with ligands · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14832 · AlphaFold monomer V2.0 prediction for metabotropic glutamate receptor 3 (Q14832) · a predicted model of the same protein · chain A against A, TM-score 0.97

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