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Crystal structure of the GLUK2 (GLUR6) wild-type lbd dimer in complex with glutamate

Analyse Crystal structure of the GLUK2 (GLUR6) wild-type lbd dimer in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XXR
Type
protein
Length
497 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor, ionotropic kainate 2
UniProt
P42260
Ligands
GLU, NA, CL
Pockets
4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor, ionotropic kainate 2protein24840% helix, 22% strandP42260
BGlutamate receptor, ionotropic kainate 2protein24940% helix, 22% strandP42260

Ligands and binding sites

  • GLU · Glutamic acid · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18460.780.81109empty
2500.690.9719GLU
31160.420.7726empty
4940.400.7726empty

Interfaces

1 interface between chains.

  • A–B · 1068 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 2XXR · Crystal structure of the GluK2 (GluR6) wild-type LBD dimer in complex with glutamate · the same entry in another collection · chain A against A, TM-score 1.00
  • P42260 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, kainate 2 (P42260) · a predicted model of the same protein · chain B against A, TM-score 0.97

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