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Cryo-EM structure of human TLR3 in complex with UNC93B1

Analyse Cryo-EM structure of human TLR3 in complex with UNC93B1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7C76
Type
protein
Length
1,174 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.4
Source
Homo sapiens
Molecule
Toll-like receptor 3; Protein unc-93 homolog B1
UniProt
O15455, Q9H1C4
Ligands
NAG, BMA
Pockets
9 · best druggability 0.85

Structure

electron microscopy · resolution 3.4 · 2 distinct chains · 37% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AToll-like receptor 3protein69113% helix, 16% strandO15455
BProtein unc-93 homolog B1protein48372% helix, 0% strandQ9H1C4

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 23 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 2 copies

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18600.850.8684empty
2600.610.9215empty
3820.560.8623empty
41970.510.7721empty
5660.480.8314empty

Interfaces

1 interface between chains.

  • A–B · 1471 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 glycan, 4 disulfide (N-glycosylation, disulfide).

Compared structures

  • 7C76 · Cryo-EM structure of human TLR3 in complex with UNC93B1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H1C4 · AlphaFold monomer V2.0 prediction for protein unc-93 homolog B1 (Q9H1C4) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • O15455 · AlphaFold monomer V2.0 prediction for toll-like receptor 3 (O15455) · a predicted model of the same protein · chain A against A, TM-score 0.97

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