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MolNFT v1 · #75328 · protein

Ligand-binding domain of GLUA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator

3PMX · Glutamate receptor 2: “Ligand-binding domain of GLUA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator”. X-ray diffraction, 3 ligands (GLU, 808, SO4), 2 pockets (best druggability 0.43). MolNFT v1 #75328…

PDB
3PMX
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2
UniProt
P19491
Ligands
GLU, 808, SO4
Pockets
2 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2protein26338% helix, 21% strandP19491

Ligands and binding sites

  • GLU · Glutamic acid · ligand · chains A
  • 808 · N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide · ligand · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · 2 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11140.430.7723SO4, EDO
21170.400.7525empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 3PMX · Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an… · 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 0.97

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