MolNFT v1 · #142083 · protein + RNA
Crystal structure of monkey TLR7 in complex with aauuaa
5ZSN · Toll-like receptor 7: “Crystal structure of monkey TLR7 in complex with aauuaa”. X-ray diffraction, 5 ligands (ACK, NAG, BMA), 17 pockets (best druggability 0.71). MolNFT v1 #142083 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5ZSN
- Type
- protein + RNA
- Length
- 1,550 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 7; RNA (5'-R(P*UP*UP*AP*A)-3')
- UniProt
- B3Y653
- Ligands
- ACK, NAG, BMA, SO4, PO4
- Pockets
- 17 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 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 |
| D, E | RNA (5'-R(P*UP*UP*AP*A)-3') | rna | 3 | — | — |
Ligands and binding sites
- ACK · 2',3'- cyclic AMP · ligand · 2 copies · chains B, A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains B, A
- BMA · beta-D-mannopyranose · sugar · chains A
- SO4 · Sulfate ion · ion · 13 copies · chains B, A
- PO4 · Phosphate ion · ion · 2 copies · chains B, A, E, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 754 | 0.71 | 0.78 | 83 | NAG, SO4 |
| 2 | 429 | 0.70 | 0.81 | 55 | PO4 |
| 3 | 370 | 0.67 | 0.81 | 50 | PO4 |
| 4 | 292 | 0.63 | 0.80 | 30 | ACK |
| 5 | 285 | 0.63 | 0.80 | 35 | ACK |
Interfaces
5 interfaces between chains.
- B–A · 2354 Ų buried · 43 hydrogen bonds · protein-protein
- B–E · 601 Ų buried · 16 hydrogen bonds · protein-nucleic
- A–D · 562 Ų buried · 16 hydrogen bonds · protein-nucleic
- A–E · 73 Ų buried · 1 hydrogen bond · protein-nucleic
- B–D · 26 Ų buried · 0 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 18 disulfide, 12 glycan (disulfide, N-glycosylation).
Compared structures
- 5ZSN · Crystal structure of monkey TLR7 in complex with AAUUAA · 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 5ZSN · PDBe 5ZSN · UniProt B3Y653
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