Research workbench
Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide
Analyse Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Z80
- Type
- protein
- Length
- 641 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 2, variable lymphocyte receptor B
- UniProt
- O60603, Q4G1L2
- Ligands
- NAG
- Pockets
- 3 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Toll-like receptor 2, variable lymphocyte receptor B | protein | 321 | 12% helix, 23% strand | O60603, Q4G1L2 |
| B | Toll-like receptor 2, variable lymphocyte receptor B | protein | 320 | 13% helix, 23% strand | O60603, Q4G1L2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.88 | 0.90 | 134 | empty |
| 2 | 117 | 0.45 | 0.78 | 26 | empty |
| 3 | 67 | 0.35 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1682 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 2Z80 · Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated… · the same entry in another collection · chain A against A, TM-score 1.00
- O60603 · AlphaFold monomer V2.0 prediction for toll-like receptor 2 (O60603) · a predicted model of the same protein · chain A against A, TM-score 0.92
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
- Every structure of UniProt Q4G1L2
- Elsewhere: RCSB PDB 2Z80 · PDBe 2Z80 · UniProt O60603 · UniProt Q4G1L2
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