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Isolated ligand binding domain dimer of GLUA2 ionotropic glutamate receptor in complex with glutamate, ly 404187 and zk 200775

Analyse Isolated ligand binding domain dimer of GLUA2 ionotropic glutamate receptor in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KGC
Type
protein
Length
516 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2
UniProt
P19491
Ligands
GLU, LY7, ZK1, SO4
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2protein25737% helix, 21% strandP19491
BGlutamate receptor 2protein25938% helix, 23% strandP19491

Ligands and binding sites

  • GLU · Glutamic acid · ligand · chains A
  • LY7 · N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide · ligand · chains A, B
  • ZK1 · {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid · ligand · chains 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110630.780.80126SO4, LY7, ZK1
22590.580.7930empty
3710.290.7313empty

Interfaces

1 interface between chains.

  • A–B · 901 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3KGC · Isolated ligand binding domain dimer of GluA2 ionotropic glutamate receptor in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • P19491 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P19491) · a predicted model of the same protein · chain A against A, TM-score 0.96

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