Research workbench
Crystal structure of TLR2-streptococcus pneumoniae lipoteichoic acid complex
Analyse Crystal structure of TLR2-streptococcus pneumoniae lipoteichoic acid complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3A7B
- Type
- protein
- Length
- 550 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toll-like receptor 2, variable lymphocyte receptor B
- UniProt
- Q9QUN7, Q4G1L2
- Ligands
- LTC, NAG
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Toll-like receptor 2, variable lymphocyte receptor B | protein | 550 | 13% helix, 20% strand | Q9QUN7, Q4G1L2 |
Ligands and binding sites
- LTC · (2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 852 | 0.83 | 0.84 | 66 | LTC |
Modifications
Observed in the structure: 5 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 3A7B · Crystal structure of TLR2-Streptococcus Pneumoniae lipoteichoic acid complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q9QUN7 · AlphaFold monomer V2.0 prediction for toll-like receptor 2 (Q9QUN7) · a predicted model of the same protein · chain A 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 Q9QUN7
- Every structure of UniProt Q4G1L2
- Elsewhere: RCSB PDB 3A7B · PDBe 3A7B · UniProt Q9QUN7 · UniProt Q4G1L2
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