Crystal structure of TLR2-pe-dtpa complex

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 20% strand (DSSP).

Ligands and binding sites

• PDK · (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
• MAN · alpha-D-mannopyranose · sugar
• LU · Lutetium (III) ion · metal

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.

Modifications

Observed in the structure: 5 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

• 3A7C · Crystal structure of TLR2-PE-DTPA 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 0.98

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 3A7C · PDBe 3A7C · UniProt Q9QUN7 · UniProt Q4G1L2