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Pentameric ligand gated ion channel glic in complex with cesium ion (cs+)

Analyse Pentameric ligand gated ion channel glic in complex with cesium ion (cs+) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XQ6
Type
protein
Length
1,550 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GLR4197 protein
UniProt
Q7NDN8
Ligands
CS
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EGLR4197 proteinprotein31033% helix, 29% strandQ7NDN8

Ligands and binding sites

  • CS · Cesium ion · metal · chains A, B, C, D, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19580.810.8252CS
23430.690.8244empty
3590.680.9618empty
4550.670.9519empty
52410.670.8436empty

Interfaces

10 interfaces between chains.

  • A–B · 2460 Ų buried · 22 hydrogen bonds · protein-protein
  • D–E · 2355 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 2335 Ų buried · 16 hydrogen bonds · protein-protein
  • A–E · 2058 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 2004 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 2XQ6 · Pentameric ligand gated ion channel GLIC in complex with cesium ion (Cs+) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7NDN8 · AlphaFold monomer V2.0 prediction for proton-gated ion channel (Q7NDN8) · a predicted model of the same protein · chain C against A, TM-score 0.99

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