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MolNFT v1 · #158088 · protein

Architecture and subunit arrangement of native AMPA receptors

6NJN · Glutamate receptor 1: “Architecture and subunit arrangement of native AMPA receptors”. Electron microscopy, 3 ligands (ZK1, NAG, BMA), 20 pockets (best druggability 0.85). MolNFT v1 #158088 on GenesisL1: 3D structure, binding sites…

PDB
6NJN
Type
protein
Length
5,212 residues
Chains
15
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 1; Glutamate receptor 2; Glutamate receptor 3; A'-C' auxiliary…
UniProt
P19490, P19491, P19492, Q71RJ2
Ligands
ZK1, NAG, BMA
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 10 distinct chains · 33% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 1protein78542% helix, 17% strandP19490
B, DGlutamate receptor 2protein78240% helix, 16% strandP19491
CGlutamate receptor 3protein78442% helix, 17% strandP19492
E, GA'-C' auxiliary proteinsprotein11793% helix, 0% strand—
F, HVoltage-dependent calcium channel gamma-2 subunitprotein16969% helix, 9% strandQ71RJ2
I11B8 scfvprotein2241% helix, 50% strand—
J, N15F1 Fab light chainprotein2115% helix, 47% strand—
K, O15F1 Fab heavy chainprotein2150% helix, 52% strand—
L5B2 Fabprotein2183% helix, 54% strand—
M5B2 Fabprotein2135% helix, 50% strand—

Ligands and binding sites

  • ZK1 · {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid · ligand · 4 copies · chains A, B, C, D
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 19 copies · chains A, B, C, D
  • BMA · beta-D-mannopyranose · sugar · 5 copies · chains 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
18050.850.88127ZK1
29260.840.86102empty
34740.820.8978empty
410800.810.83104empty
56140.810.8679ZK1

Interfaces

24 interfaces between chains.

  • A–B · 3593 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 3455 Ų buried · 20 hydrogen bonds · protein-protein
  • A–D · 2813 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 2765 Ų buried · 15 hydrogen bonds · protein-protein
  • A–F · 668 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 glycan, 10 disulfide (N-glycosylation, disulfide, O-glycosylation, glycation, glycosylation).

Compared structures

  • 6NJN · Architecture and subunit arrangement of native AMPA receptors · the same entry in another collection · chain K against K, TM-score 1.00

Analyse

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