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MolNFT v1 · #25473 · protein

Crystal structure of the ligand-binding core of IGLUR5 in complex with the antagonist (S)-atpo at 1.85 a resolution

1VSO · Glutamate receptor, ionotropic kainate 1: “Crystal structure of the ligand-binding core of IGLUR5 in complex with the antagonist (S)-atpo at 1.85 a…”. X-ray diffraction, 1 ligand (AT1), 1 pocket (best druggability 0.58). MolNFT v1…

PDB
1VSO
Type
protein
Length
243 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor, ionotropic kainate 1
UniProt
P22756
Ligands
AT1
Pockets
1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor, ionotropic kainate 1protein24338% helix, 21% strandP22756

Ligands and binding sites

  • AT1 · (S)-2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid · ligand · chains A
  • GOL · Glycerol · 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
13800.580.7640AT1, GOL

Compared structures

  • 1VSO · Crystal Structure of the Ligand-Binding Core of iGluR5 in Complex With the Antagonist… · the same entry in another collection · chain A against A, TM-score 1.00
  • P22756 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, kainate 1 (P22756) · a predicted model of the same protein · chain A against A, TM-score 0.90

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