Research workbench
Crystal structure of the C713S mutant of the tir domain of human TLR2
Analyse Crystal structure of the C713S mutant of the tir domain of human TLR2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1O77
- Type
- protein
- Length
- 689 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 2
- UniProt
- O60603
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Toll-like receptor 2 | protein | 141 | 49% helix, 17% strand | O60603 |
| B | Toll-like receptor 2 | protein | 135 | 44% helix, 16% strand | O60603 |
| C | Toll-like receptor 2 | protein | 135 | 47% helix, 15% strand | O60603 |
| E | Toll-like receptor 2 | protein | 137 | 45% helix, 18% strand | O60603 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.63 | 0.77 | 59 | empty |
| 2 | 189 | 0.53 | 0.78 | 30 | empty |
| 3 | 58 | 0.42 | 0.82 | 19 | empty |
| 4 | 54 | 0.38 | 0.80 | 12 | empty |
Interfaces
6 interfaces between chains.
- A–B · 674 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 661 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 350 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 331 Ų buried · 3 hydrogen bonds · protein-protein
- A–E · 112 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1O77 · Crystal structure of the C713S mutant of the tir domain of human TLR2 · the same entry in another collection · chain B against B, TM-score 1.00
- O60603 · AlphaFold monomer V2.0 prediction for toll-like receptor 2 (O60603) · a predicted model of the same protein · chain E against A, TM-score 0.96
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 O60603
- Elsewhere: RCSB PDB 1O77 · PDBe 1O77 · UniProt O60603
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