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Active state GLUA1/A2 AMPA receptor in complex with tarp gamma 8 and CNIH2 (lbd-tmd)

Analyse Active state GLUA1/A2 AMPA receptor in complex with tarp gamma 8 and CNIH2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7OCF
Type
protein
Length
2,294 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Isoform flip of glutamate receptor 1; Isoform flip of glutamate receptor 2; Protein…
UniProt
P19490, P19491, Q5BJU5, Q8VHW5
Ligands
PC1, CYZ, GLU
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 4 distinct chains · 53% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CIsoform flip of glutamate receptor 1protein40647% helix, 10% strandP19490
B, DIsoform flip of glutamate receptor 2protein39945% helix, 10% strandP19491
G, EProtein cornichon homolog 2protein15877% helix, 0% strandQ5BJU5
I, JVoltage-dependent calcium channel gamma-8 subunitprotein18464% helix, 10% strandQ8VHW5

Ligands and binding sites

  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · 26 copies · chains A, B, G, C, I, D, E, J
  • CYZ · Cyclothiazide · ligand · 4 copies · chains A, B, C, D
  • GLU · Glutamic acid · ligand · 4 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
19020.800.82111CYZ, GLU
29280.800.82119CYZ, GLU
36890.760.8254empty
42250.720.8837empty
5670.710.9619empty

Interfaces

12 interfaces between chains.

  • C–D · 2605 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 2604 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 2017 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 2016 Ų buried · 12 hydrogen bonds · protein-protein
  • A–J · 874 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 7OCF · Active state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and CNIH2 (LBD-TMD) · the same entry in another collection · chain D against D, 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 I against A, TM-score 0.94
  • Q5BJU5 · AlphaFold monomer V2.0 prediction for protein cornichon homolog 2 (Q5BJU5) · a predicted model of the same protein · chain G against A, TM-score 0.93

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