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Crystal structure of the GLUA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(3,4-dichloro-5-(5- hydroxypyridin-3-YL)PHENYL)PROPANOIC acid at 2.0A 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
5CBR
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
4ZK, SO4
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2,GLUTAMATE receptor 2protein25840% helix, 21% strandP19491

Ligands and binding sites

  • 4ZK · 3,4-dichloro-5-(5-hydroxypyridin-3-yl)-L-phenylalanine · ligand · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • GOL · Glycerol · additive · 3 copies · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13780.670.80414ZK, GOL, SO4

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

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

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