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MolNFT v1 · #170824 · protein

Structure of the AMPA receptor GLUA2O ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-amino-2'-carboxyethyl]-5 ,7- DIHYDROPYRROLO[3,4-D]PYRIMIDIN-2,4(1H,3H)-dione at resolution 1.20A

6YK3 · Glutamate receptor 2,GLUTAMATE receptor 2: “Structure of the AMPA receptor GLUA2O ligand-binding domain (S1S2J) in complex with the compound ( S) - 1…”. X-ray diffraction, 4 ligands (PVQ, SO4, CL), 3 pockets (best druggability…

PDB
6YK3
Type
protein
Length
263 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
PVQ, SO4, CL, NH4
Pockets
3 · best druggability 0.68

Structure

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

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

Ligands and binding sites

  • PVQ · (S)-1-[2'-amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3, 4-d]pyrimidin-2,4(1H,3H)-dione · ligand · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • NH4 · Ammonium 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
1600.680.9620PVQ
21520.440.7526SO4
3550.350.7812GOL

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6YK3 · 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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