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Crystal structure of the GLUA2 ligand-binding domain (S1S2J) in complex with (S)-2-amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)- 3-hydroxyisoxazol-4-YL)PROPANOIC acid at 1.6 a resolution

Analyse Crystal structure of the GLUA2 ligand-binding domain (S1S2J) 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
5FHN
Type
protein
Length
258 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2,GLUTAMATE receptor 2
UniProt
P19491
Ligands
5XO, SO4
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2,GLUTAMATE receptor 2protein25837% helix, 20% strandP19491

Ligands and binding sites

  • 5XO · (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • ACT · Acetate ion · additive · chains A
  • EDO · 1,2-ethanediol · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11560.680.8836GOL, 5XO
2930.420.7921SO4

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5FHN · Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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