MolNFT v1 · #156191 · protein
Cryo-EM structure of TLR7/CPD-7 (dsr-139970) complex in open form
6LW1 · Toll-like receptor 7: “Cryo-EM structure of TLR7/CPD-7 (dsr-139970) complex in open form”. Electron microscopy, 1 ligand (EX3), 10 pockets (best druggability 0.75). MolNFT v1 #156191 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6LW1
- Type
- protein
- Length
- 1,526 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 7
- UniProt
- B3Y653
- Ligands
- EX3
- Pockets
- 10 · best druggability 0.75
Structure
electron microscopy · 1 distinct chain · 10% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Toll-like receptor 7 | protein | 763 | 10% helix, 14% strand | B3Y653 |
Ligands and binding sites
- EX3 · 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1117 | 0.75 | 0.77 | 115 | EX3 |
| 2 | 255 | 0.57 | 0.78 | 28 | empty |
| 3 | 250 | 0.56 | 0.78 | 28 | empty |
| 4 | 113 | 0.52 | 0.82 | 28 | empty |
| 5 | 117 | 0.51 | 0.81 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1366 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 6LW1 · Cryo-EM structure of TLR7/Cpd-7 (DSR-139970) complex in open form · 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 6LW1 · PDBe 6LW1 · UniProt B3Y653
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