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AMPA subtype ionotropic glutamate receptor GLUA2 in complex with noncompetitive inhibitor perampanel

Analyse AMPA subtype ionotropic glutamate receptor GLUA2 in complex with noncompetitive… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5L1F
Type
protein
Length
3,100 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2
UniProt
P19491
Ligands
6ZP, NAG
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DGlutamate receptor 2protein77740% helix, 18% strandP19491
B, CGlutamate receptor 2protein77338% helix, 17% strandP19491

Ligands and binding sites

  • 6ZP · 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile · ligand · 4 copies · chains A, B, C, D
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18890.820.84111empty
211860.810.8290empty
39450.810.821096ZP
46320.780.8472empty
58240.760.80826ZP

Interfaces

6 interfaces between chains.

  • A–B · 3842 Ų buried · 25 hydrogen bonds · protein-protein
  • C–D · 3501 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 3025 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 3007 Ų buried · 19 hydrogen bonds · protein-protein
  • B–D · 394 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 6 glycan (disulfide, N-glycosylation, glycation).

Compared structures

  • 5L1F · AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00

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