GL1X · GenesisL1 explorer

MolNFT v1 · #120887 · protein

Pentameric ligand-gated ion channel glic mutant P246G

5HEG · Proton-gated ion channel: “Pentameric ligand-gated ion channel glic mutant P246G”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #120887 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5HEG
Type
protein
Length
1,550 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proton-gated ion channel
UniProt
Q7NDN8
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EProton-gated ion channelprotein31035% helix, 33% strandQ7NDN8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17260.860.8995empty
22360.790.9239empty
32440.790.9138empty
42090.780.9234empty
51720.760.9226empty

Interfaces

10 interfaces between chains.

  • A–B · 2222 Ų buried · 17 hydrogen bonds · protein-protein
  • D–E · 2212 Ų buried · 16 hydrogen bonds · protein-protein
  • A–E · 2199 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 2197 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 2179 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 5HEG · Pentameric ligand-gated ion channel GLIC mutant P246G · 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 E against A, TM-score 0.97

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