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MolNFT v1 · #80069 · protein

The glic pentameric ligand-gated ion channel H11'F mutant in a locally-closed conformation (LC1 subtype)

3TLT · GLR4197 protein: “The glic pentameric ligand-gated ion channel H11'F mutant in a locally-closed conformation (LC1 subtype)”. X-ray diffraction, 1 ligand (CL), 20 pockets (best druggability 0.84). MolNFT v1 #80069 on GenesisL1: 3D…

PDB
3TLT
Type
protein
Length
1,555 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GLR4197 protein
UniProt
Q7NDN8
Ligands
CL
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EGLR4197 proteinprotein31136% helix, 34% strandQ7NDN8

Ligands and binding sites

  • CL · Chloride ion · ion · 5 copies · chains A, B, C, D, E
  • LMT · Dodecyl-beta-D-maltoside · additive · 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, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17260.840.8782empty
24760.830.9052empty
311490.820.83118empty
42020.810.9524empty
55820.800.8659LMT

Interfaces

5 interfaces between chains.

  • B–C · 2309 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 2308 Ų buried · 16 hydrogen bonds · protein-protein
  • D–E · 2304 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 2271 Ų buried · 16 hydrogen bonds · protein-protein
  • A–E · 2268 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 3TLT · The GLIC pentameric Ligand-Gated Ion Channel H11'F mutant in a locally-closed… · 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 B against A, TM-score 0.98

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