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MolNFT v1 · #123259 · protein

Crystal structure of the GLUA2 lbd in complex with fw

5JEI · Glutamate receptor 2,GLUTAMATE receptor 2: “Crystal structure of the GLUA2 lbd in complex with fw”. X-ray diffraction, 5 ligands (ETE, FWD, TOE), 2 pockets (best druggability 0.47). MolNFT v1 #123259 on GenesisL1: 3D structure…

PDB
5JEI
Type
protein
Length
264 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
ETE, FWD, TOE, NA, PO4
Pockets
2 · best druggability 0.47

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2,GLUTAMATE receptor 2protein26437% helix, 20% strandP19491

Ligands and binding sites

  • ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · 2 copies · chains A
  • FWD · 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid · ligand · chains A
  • TOE · 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • PO4 · Phosphate ion · ion · 2 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
  • PG4 · Tetraethylene glycol · additive · 2 copies · chains A
  • PG0 · 2-(2-methoxyethoxy)ethanol · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11200.470.7920empty
2870.370.7620EDO

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5JEI · Crystal structure of the GluA2 LBD in complex with FW · the same entry in another collection · chain A against A, TM-score 1.00

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