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GLUN1-GLUN2B NMDA receptors with exon 5

Analyse GLUN1-GLUN2B NMDA receptors with exon 5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6CNA
Type
protein
Length
3,160 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor ionotropic, NMDA 1; Glutamate receptor ionotropic, NMDA 2B
UniProt
P35439, Q00960
Ligands
NAG
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 2 distinct chains · 38% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CGlutamate receptor ionotropic, NMDA 1protein79538% helix, 14% strandP35439
B, DGlutamate receptor ionotropic, NMDA 2Bprotein78538% helix, 15% strandQ00960

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 22 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
19310.820.83118empty
26670.820.8697empty
38640.810.83122empty
47390.780.8294empty
510910.770.79113empty

Interfaces

5 interfaces between chains.

  • C–D · 2130 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 2120 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 1646 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 1645 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 183 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide, 14 glycan (disulfide, N-glycosylation).

Compared structures

  • 6CNA · GluN1-GluN2B NMDA receptors with exon 5 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q00960 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 2B (Q00960) · a predicted model of the same protein · chain B against A, TM-score 0.92
  • P35439 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 1 (P35439) · a predicted model of the same protein · chain A against A, TM-score 0.89

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