MolNFT v1 · #142075 · protein
Crystal structure of monkey TLR7 in complex with imiquimod
5ZSF · Toll-like receptor 7: “Crystal structure of monkey TLR7 in complex with imiquimod”. X-ray diffraction, 3 ligands (6T0, NAG, SO4), 20 pockets (best druggability 0.70). MolNFT v1 #142075 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5ZSF
- Type
- protein
- Length
- 1,544 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 7
- UniProt
- B3Y653
- Ligands
- 6T0, NAG, SO4
- Pockets
- 20 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Toll-like receptor 7 | protein | 772 | 13% helix, 15% strand | B3Y653 |
Ligands and binding sites
- 6T0 · 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine · ligand · 2 copies · chains B, A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 18 copies · chains B, A
- SO4 · Sulfate ion · ion · 3 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 457 | 0.70 | 0.81 | 70 | empty |
| 2 | 515 | 0.70 | 0.80 | 76 | empty |
| 3 | 126 | 0.70 | 0.91 | 36 | empty |
| 4 | 522 | 0.66 | 0.77 | 55 | NAG |
| 5 | 155 | 0.62 | 0.84 | 22 | 6T0 |
Interfaces
1 interface between chains.
- B–A · 2414 Ų buried · 38 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 14 glycan (disulfide, N-glycosylation).
Compared structures
- 5ZSF · Crystal structure of monkey TLR7 in complex with imiquimod · the same entry in another collection · chain B against B, TM-score 1.00
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 B3Y653
- Elsewhere: RCSB PDB 5ZSF · PDBe 5ZSF · UniProt B3Y653
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