GL1X · GenesisL1 explorer

MolNFT v1 · #161629 · protein

GLUA1/2 in complex with auxiliary subunit gamma-8

6QKC · Glutamate receptor 1: “GLUA1/2 in complex with auxiliary subunit gamma-8”. Electron microscopy, 1 ligand (E2Q), 20 pockets (best druggability 0.85). MolNFT v1 #161629 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6QKC
Type
protein
Length
1,902 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 1; Glutamate receptor 2; Voltage-dependent calcium channel gamma-8…
UniProt
P19490, P19491, Q8VHW5
Ligands
E2Q
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 3 distinct chains · 50% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CGlutamate receptor 1protein39348% helix, 13% strandP19490
B, DGlutamate receptor 2protein39646% helix, 12% strandP19491
I, JVoltage-dependent calcium channel gamma-8 subunitprotein16265% helix, 9% strandQ8VHW5

Ligands and binding sites

  • E2Q · 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide · ligand · 4 copies · chains A, B, C, D
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 12 copies · chains A, J, B, C, I, 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
111670.850.85138E2Q
210300.850.86117E2Q
31910.800.9422empty
41080.750.9538empty
52200.720.8841empty

Interfaces

10 interfaces between chains.

  • C–D · 2957 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 2948 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 2113 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 2099 Ų buried · 7 hydrogen bonds · protein-protein
  • C–I · 761 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 6QKC · GluA1/2 In complex with auxiliary subunit gamma-8 · the same entry in another collection · chain J against J, TM-score 1.00
  • Q8VHW5 · AlphaFold monomer V2.0 prediction for voltage-dependent calcium channel gamma-8 subunit… · a predicted model of the same protein · chain J against A, TM-score 0.95
  • P19491 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P19491) · a predicted model of the same protein · chain B against A, TM-score 0.90
  • P19490 · AlphaFold monomer V2.0 prediction for glutamate receptor 1 (P19490) · a predicted model of the same protein · chain C against A, TM-score 0.64

Analyse

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