MolNFT v1 · #82976 · protein
Crystal structure of human TLR8 (unliganded form)
3W3G · Toll-like receptor 8: “Crystal structure of human TLR8 (unliganded form)”. X-ray diffraction, 2 ligands (NAG, BMA), 17 pockets (best druggability 0.80). MolNFT v1 #82976 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3W3G
- Type
- protein
- Length
- 1,495 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 8
- UniProt
- Q9NR97
- Ligands
- NAG, BMA
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Toll-like receptor 8 | protein | 752 | 11% helix, 15% strand | Q9NR97 |
| B | Toll-like receptor 8 | protein | 743 | 12% helix, 15% strand | Q9NR97 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 22 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 5 copies · chains A, B
- BU3 · (R,R)-2,3-butanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1081 | 0.80 | 0.81 | 128 | empty |
| 2 | 187 | 0.71 | 0.88 | 30 | empty |
| 3 | 99 | 0.71 | 0.93 | 21 | BU3 |
| 4 | 96 | 0.69 | 0.92 | 20 | empty |
| 5 | 215 | 0.61 | 0.81 | 28 | NAG |
Interfaces
1 interface between chains.
- A–B · 1342 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 glycan, 12 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 3W3G · PDBe 3W3G · UniProt Q9NR97
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