3WN4
Crystal structure of human TLR8 in complex with DS-877
- PDB DOI: https://doi.org/10.2210/pdb3WN4/pdb
- Classification: IMMUNE SYSTEM
- Organism(s): Homo sapiens
- Expression System: Drosophila
- Mutation(s): No 
- Deposited: 2013-12-02 Released: 2014-02-19 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.81 Å
- R-Value Free: 0.208 
- R-Value Work: 0.168 
- R-Value Observed: 0.170 
This is version 2.1 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Toll-like receptor 8 | 811 | Homo sapiens | Mutation(s): 0  Gene Names: TLR8, UNQ249/PRO286 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9NR97 (Homo sapiens) Explore Q9NR97  Go to UniProtKB:  Q9NR97 | |||||
PHAROS:  Q9NR97 GTEx:  ENSG00000101916  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q9NR97 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(2-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | B | 5 | N/A | N-Glycosylation |
Small Molecules
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
D87 Query on D87 | E [auth A] | 2-butylfuro[2,3-c]quinolin-4-amine C15 H16 N2 O TVEPYAGOSGVFCI-UHFFFAOYSA-N | |||
NAG Query on NAG | F [auth A] G [auth A] H [auth A] I [auth A] J [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.81 Å
- R-Value Free: 0.208 
- R-Value Work: 0.168 
- R-Value Observed: 0.170 
- Space Group: C 1 2 1
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 138.361 | α = 90 |
b = 103.528 | β = 106.74 |
c = 70.724 | γ = 90 |
Software Name | Purpose |
---|---|
MOLREP | phasing |
REFMAC | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
Entry History 
Deposition Data
- Released Date: 2014-02-19  Deposition Author(s): Tanji, H., Ohto, U., Shimizu, T.
Revision History (Full details and data files)
- Version 1.0: 2014-02-19
Type: Initial release - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Database references, Derived calculations, Structure summary - Version 2.1: 2022-08-24
Changes: Data collection, Database references, Structure summary