MolNFT v1 · #142079 · protein
Crystal structure of monkey TLR7 in complex with GS9620
5ZSJ · Toll-like receptor 7: “Crystal structure of monkey TLR7 in complex with GS9620”. X-ray diffraction, 3 ligands (9JR, NAG, SO4), 20 pockets (best druggability 0.72). MolNFT v1 #142079 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5ZSJ
- 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
- 9JR, NAG, SO4
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Toll-like receptor 7 | protein | 772 | 14% helix, 15% strand | B3Y653 |
Ligands and binding sites
- 9JR · 4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl) phenyl]methyl]-5,7-dihydropteridin-6-one · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 16 copies · chains A, B
- SO4 · Sulfate ion · ion · 11 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 809 | 0.72 | 0.77 | 85 | NAG |
| 2 | 280 | 0.70 | 0.85 | 47 | NAG |
| 3 | 379 | 0.67 | 0.80 | 63 | SO4 |
| 4 | 256 | 0.66 | 0.82 | 34 | 9JR |
| 5 | 255 | 0.65 | 0.82 | 31 | 9JR |
Interfaces
1 interface between chains.
- A–B · 2353 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 14 glycan (disulfide, N-glycosylation).
Compared structures
- 5ZSJ · Crystal structure of monkey TLR7 in complex with GS9620 · the same entry in another collection · chain A against A, 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 5ZSJ · PDBe 5ZSJ · UniProt B3Y653
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