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MolNFT v1 · #152731 · protein

Structure of the human GLUN1/GLUN2A NMDA receptor in the GLUTAMATE/GLYCINE-bound state at pH 6.3, class III

6IRH · Glutamate receptor ionotropic, NMDA 1: “Structure of the human GLUN1/GLUN2A NMDA receptor in the GLUTAMATE/GLYCINE-bound state at pH 6.3, class III”. Electron microscopy, 20 pockets (best druggability 0.87). MolNFT v1 #152731 on…

PDB
6IRH
Type
protein
Length
3,083 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor ionotropic, NMDA 1; Glutamate receptor ionotropic, NMDA 2A
UniProt
Q05586, Q12879
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 3 distinct chains · 37% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CGlutamate receptor ionotropic, NMDA 1protein78638% helix, 17% strandQ05586
D, BGlutamate receptor ionotropic, NMDA 2Aprotein75636% helix, 13% strandQ12879
AGlutamate receptor ionotropic, NMDA 1protein78538% helix, 17% strandQ05586

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19520.870.89116empty
210310.870.88110empty
311220.860.87117empty
42140.820.9538empty
52090.820.9533empty

Interfaces

5 interfaces between chains.

  • A–B · 3187 Ų buried · 32 hydrogen bonds · protein-protein
  • C–D · 3180 Ų buried · 35 hydrogen bonds · protein-protein
  • C–B · 2295 Ų buried · 18 hydrogen bonds · protein-protein
  • D–A · 2288 Ų buried · 17 hydrogen bonds · protein-protein
  • D–B · 202 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 6IRH · Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at… · the same entry in another collection · chain C against C, TM-score 1.00
  • Q05586 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 1 (Q05586) · a predicted model of the same protein · chain C against A, TM-score 0.95
  • Q12879 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 2A (Q12879) · a predicted model of the same protein · chain D against A, TM-score 0.91

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