Crystal structure of human BCL6 btb domain in complex with compound 13G

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 12% strand (DSSP).

Ligands and binding sites

• VJ2 · 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile · ligand · chains A
• CL · Chloride ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
• DMS · Dimethyl sulfoxide · additive · chains A

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

Interfaces

1 interface between chains.

• A–B · 282 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

• 7OKM · Crystal structure of human BCL6 BTB domain in complex with compound 13g · 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 0.33

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 7OKM · PDBe 7OKM · UniProt P41182