Research workbench
Crystal structure of monkey TLR7 in complex with CL075
Analyse Crystal structure of monkey TLR7 in complex with CL075 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5ZSH
- 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
- L07, NAG, SO4
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Toll-like receptor 7 | protein | 772 | 13% helix, 16% strand | B3Y653 |
Ligands and binding sites
- L07 · 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine · ligand · 2 copies · chains B, A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains B, A
- SO4 · Sulfate ion · ion · 9 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, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.69 | 0.83 | 51 | empty |
| 2 | 505 | 0.67 | 0.78 | 58 | NAG, SO4 |
| 3 | 177 | 0.65 | 0.85 | 23 | L07, SO4 |
| 4 | 254 | 0.64 | 0.81 | 33 | L07 |
| 5 | 310 | 0.60 | 0.78 | 50 | empty |
Interfaces
1 interface between chains.
- B–A · 2501 Ų buried · 43 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 13 glycan (disulfide, N-glycosylation).
Compared structures
- 5ZSH · Crystal structure of monkey TLR7 in complex with CL075 · 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 5ZSH · PDBe 5ZSH · UniProt B3Y653
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