› 5x9o

X-ray diffraction
1.58Å resolution

Crystal structure of the BCL6 BTB domain in complex with Compound 1a

Released:
DOI: 10.2210/pdb5x9o/pdb
PDB entry 5x9o coloured by chain, front view.
PDB entry 5x9o coloured by chain, side view.
PDB entry 5x9o coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design.
Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y
Bioorg Med Chem 25 4876-4886 (2017)
PMID: 28760529

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-154262 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
B-cell lymphoma 6 protein Chain: A
Molecule details ›
Chain: A
Length: 141 amino acids
Theoretical weight: 16.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P41182 (Residues: 5-129; Coverage: 18%)
Gene names: BCL5, BCL6, LAZ3, ZBTB27, ZNF51
Sequence domains: BTB/POZ domain
Structure domains: Potassium Channel Kv1.1; Chain A

Ligands and Environments

3 bound ligands:
Ligand 80R 1 x 80R
Ligand EDO 1 x EDO
Ligand K 1 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P6122
Unit cell:
a: 66.618Å b: 66.618Å c: 151.996Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.199 0.213
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Targeting Transcription Factors for Cancer Treatment.
Lambert et al. (2018)
2 more

1 mention without citation

Progress toward B-Cell Lymphoma 6 BTB Domain Inhibitors for the Treatment of Diffuse Large B-Cell Lymphoma and Beyond.
Ai et al. (2021)