Research workbench
Crystal structure of human TLR8 in complex with ds-877
Analyse Crystal structure of human TLR8 in complex with ds-877 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WN4
- Type
- protein
- Length
- 747 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 8
- UniProt
- Q9NR97
- Ligands
- D87, NAG, BMA, MAN
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Toll-like receptor 8 | protein | 747 | 12% helix, 15% strand | Q9NR97 |
Ligands and binding sites
- D87 · 2-butylfuro[2,3-c]quinolin-4-amine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 3 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 399 | 0.64 | 0.78 | 49 | NAG |
| 2 | 96 | 0.57 | 0.86 | 21 | empty |
| 3 | 170 | 0.50 | 0.77 | 22 | empty |
| 4 | 84 | 0.35 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 12 glycan, 6 disulfide (N-glycosylation, disulfide).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9NR97
- Elsewhere: RCSB PDB 3WN4 · PDBe 3WN4 · UniProt Q9NR97
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.