Crystal structure of the BCL6 btb domain in complex with pyrazolo- pyrimidine ligand

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 14% strand (DSSP).

Ligands and binding sites

• 8HN · 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid · ligand · 2 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1804 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

• 5N21 · Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand · the same entry in another collection · chain A against A, TM-score 1.00
• P41182 · AlphaFold monomer V2.0 prediction for B-cell lymphoma 6 protein (P41182) · a predicted model of the same protein · chain A against A, TM-score 0.32

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 P41182
• Elsewhere: RCSB PDB 5N21 · PDBe 5N21 · UniProt P41182