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MolNFT v1 · #170826 · protein

Structure of the AMPA receptor GLUA2O ligand-binding domain (S1S2J) in complex with the compound (S)-1-(2'-amino-2'-carboxyethyl)-5,7- DIHYDROFURO[3,4-D]- pyrimidine-2,4(1H,3H)-dione at resolution 1.15A

6YK5 · Glutamate receptor 2: “Structure of the AMPA receptor GLUA2O ligand-binding domain (S1S2J) in complex with the compound…”. X-ray diffraction, 4 ligands (PVK, LI, SO4), 3 pockets (best druggability 0.69). MolNFT v1 #170826 on…

PDB
6YK5
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
PVK, LI, SO4, CL
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2protein26337% helix, 21% strandP19491

Ligands and binding sites

  • PVK · (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione · ligand · chains A
  • LI · Lithium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1720.690.9519PVK
21440.450.7624SO4
3750.350.7619empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6YK5 · Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the… · 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 0.98

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