› 5awc

X-ray diffraction
2.5Å resolution

Crystal structure of human TLR8 in complex with MB-564

Released:
DOI: 10.2210/pdb5awc/pdb
PDB entry 5awc coloured by chain, front view.
PDB entry 5awc coloured by chain, side view.
PDB entry 5awc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Design of Human TLR8-Specific Agonists with Augmented Potency and Adjuvanticity.
Beesu M, Caruso G, Salyer AC, Khetani KK, Sil D, Weerasinghe M, Tanji H, Ohto U, Shimizu T, David SA
J Med Chem 58 7833-49 (2015)
PMID: 26351878

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192550 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Toll-like receptor 8 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 811 amino acids
Theoretical weight: 92.84 KDa
Source organism: Homo sapiens
Expression system: Drosophila
UniProt:
  • Canonical: Q9NR97 (Residues: 27-827; Coverage: 79%)
Gene names: TLR8, UNQ249/PRO286
Sequence domains: Leucine rich repeat
Structure domains: Ribonuclease Inhibitor

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
2 bound ligands:
Ligand NAG 9 x NAG
Ligand M4D 4 x M4D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: P21
Unit cell:
a: 86.401Å b: 140.175Å c: 169.603Å
α: 90° β: 90.47° γ: 90°
R-values:
R R work R free
0.212 0.209 0.269
Expression system: Drosophila

Quick links

Citations

9 review citations

Cancer Immunotherapy: Selected Targets and Small-Molecule Modulators.
Weinmann H. (2016)
8 more

4 mentions without citation

Structural and functional understanding of the toll-like receptors.
Asami et al. (2021)
3 more