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Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with fluoro-willardiine at 1.35 ångströms resolution

Analyse Crystal structure of the GLUR2 ligand binding core (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
1MQI
Type
protein
Length
260 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2
UniProt
P19491
Ligands
FWD
Pockets
2 · best druggability 0.36

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2protein26037% helix, 21% strandP19491

Ligands and binding sites

  • FWD · 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid · ligand · 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
1770.360.7719empty
2780.330.7420empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1MQI · Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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