› 3lbz

X-ray diffraction
2.3Å resolution

Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6

Released:
DOI: 10.2210/pdb3lbz/pdb
PDB entry 3lbz coloured by chain, front view.
PDB entry 3lbz coloured by chain, side view.
PDB entry 3lbz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo.
Cerchietti LC, Ghetu AF, Zhu X, Da Silva GF, Zhong S, Matthews M, Bunting KL, Polo JM, Farès C, Arrowsmith CH, Yang SN, Garcia M, Coop A, Mackerell AD, Privé GG, Melnick A
Cancer Cell 17 400-11 (2010)
PMID: 20385364

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154263 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
B-cell lymphoma 6 protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 127 amino acids
Theoretical weight: 14.56 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

2 bound ligands:
Ligand Z88 2 x Z88
Ligand Z89 3 x Z89
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2
Unit cell:
a: 101.712Å b: 38.611Å c: 78.817Å
α: 90° β: 114.7° γ: 90°
R-values:
R R work R free
0.215 0.213 0.269
Expression system: Escherichia coli

Quick links

Citations

67 review citations

Computational methods in drug discovery.
Sliwoski et al. (2014)
66 more

5 mentions without citation

Targeting protein-protein interactions in hematologic malignancies: still a challenge or a great opportunity for future therapies?
Cierpicki et al. (2015)
4 more