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Diheteromeric NMDA receptor GluN1/GluN2A in the '1-Knuckle' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 7.4

Analyse Diheteromeric NMDA receptor GluN1/GluN2A in the '1-Knuckle' conformation, in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MMK
Type
protein
Length
3,122 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
6.08
Source
Rattus norvegicus
Molecule
Glutamate receptor ionotropic, NMDA 1; Glutamate receptor ionotropic, NMDA 2A
UniProt
P35439, Q00959
Ligands
NAG
Pockets
20 · best druggability 0.89

Structure

electron microscopy · resolution 6.08 · 4 distinct chains · 36% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor ionotropic, NMDA 1protein78238% helix, 17% strandP35439
BGlutamate receptor ionotropic, NMDA 2Aprotein77234% helix, 15% strandQ00959
CGlutamate receptor ionotropic, NMDA 1protein79038% helix, 15% strandP35439
DGlutamate receptor ionotropic, NMDA 2Aprotein77834% helix, 14% strandQ00959

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 40 copies · chains A, C, D, B

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
19680.890.90102empty
210300.840.85116empty
36360.810.8686empty
49270.800.82115empty
54290.800.8858empty

Interfaces

5 interfaces between chains.

  • C–D · 4242 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 3908 Ų buried · 31 hydrogen bonds · protein-protein
  • B–C · 2866 Ų buried · 20 hydrogen bonds · protein-protein
  • A–D · 2707 Ų buried · 14 hydrogen bonds · protein-protein
  • B–D · 148 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 34 glycan, 9 disulfide (N-glycosylation, disulfide).

Compared structures

  • 6MMK · Diheteromeric NMDA receptor GLUN1/GLUN2A in the '1-knuckle' conformation, in complex with… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q00959 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 2A (Q00959) · a predicted model of the same protein · chain D 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 C against A, TM-score 0.91

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