MolNFT v1 · #152358 · protein
Crystal structure of monkey TLR7 in complex with 2',3'-cgmp (guanosine 2',3'-cyclic phosphate)
6IF5 · Toll-like receptor 7: “Crystal structure of monkey TLR7 in complex with 2',3'-cgmp (guanosine 2',3'-cyclic phosphate)”. X-ray diffraction, 3 ligands (23G, NAG, SO4), 20 pockets (best druggability 0.73). MolNFT v1 #152358 on…
- PDB
- 6IF5
- Type
- protein
- Length
- 1,547 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 7
- UniProt
- B3Y653
- Ligands
- 23G, NAG, SO4
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Toll-like receptor 7 | protein | 773 | 13% helix, 15% strand | B3Y653 |
| A | Toll-like receptor 7 | protein | 774 | 13% helix, 15% strand | B3Y653 |
Ligands and binding sites
- 23G · Guanosine-5'-phosphate-2',3'-cyclic phosphate · ligand · 2 copies · chains B, A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 18 copies · chains B, A
- SO4 · Sulfate ion · ion · 21 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, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 529 | 0.73 | 0.82 | 68 | SO4 |
| 2 | 426 | 0.70 | 0.81 | 61 | empty |
| 3 | 255 | 0.68 | 0.84 | 47 | empty |
| 4 | 508 | 0.65 | 0.77 | 60 | SO4, NAG |
| 5 | 298 | 0.63 | 0.79 | 32 | 23G |
Interfaces
1 interface between chains.
- B–A · 2371 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 16 glycan (disulfide, N-glycosylation).
Compared structures
- 6IF5 · Crystal structure of monkey TLR7 in complex with 2',3'-cGMP (Guanosine 2',3'-cyclic… · 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 6IF5 · PDBe 6IF5 · UniProt B3Y653
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