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Pentameric ligand gated ion channel glic in complex with tetramethylarsonium (tmas)

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

PDB
2XQ4
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
ARS
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EGLR4197 proteinprotein31034% helix, 30% strandQ7NDN8

Ligands and binding sites

  • ARS · Arsenic · metal · chains C

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19560.820.8353ARS
25750.710.8067empty
35920.700.7965empty
43710.700.8245empty
53120.680.8342empty

Interfaces

9 interfaces between chains.

  • A–B · 2507 Ų buried · 24 hydrogen bonds · protein-protein
  • C–D · 2348 Ų buried · 13 hydrogen bonds · protein-protein
  • D–E · 2337 Ų buried · 18 hydrogen bonds · protein-protein
  • A–E · 1963 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 1889 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 2XQ4 · Pentameric ligand gated ion channel GLIC in complex with tetramethylarsonium (TMAs) · the same entry in another collection · chain E against E, 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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