› 4c52

X-ray diffraction
2.05Å resolution

Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)

Released:
DOI: 10.2210/pdb4c52/pdb
PDB entry 4c52 coloured by chain, front view.
PDB entry 4c52 coloured by chain, side view.
PDB entry 4c52 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
De-novo designed library of benzoylureas as inhibitors of BCL-XL: synthesis, structural and biochemical characterization.
Brady RM, Vom A, Roy MJ, Toovey N, Smith BJ, Moss RM, Hatzis E, Huang DC, Parisot JP, Yang H, Street IP, Colman PM, Czabotar PE, Baell JB, Lessene G
J Med Chem 57 1323-43 (2014)
PMID: 24456288

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170525 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bcl-2-like protein 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 158 amino acids
Theoretical weight: 17.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q07817 (Residues: 1-209; Coverage: 66%)
Gene names: BCL2L, BCL2L1, BCLX
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand X0D 2 x X0D
Ligand SO4 7 x SO4
Ligand EDO 12 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P3221
Unit cell:
a: 63.814Å b: 63.814Å c: 132.83Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.162 0.159 0.216
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

New dimension in therapeutic targeting of BCL-2 family proteins.
Besbes et al. (2015)
5 more

3 mentions without citation

The Structural Biology of Bcl-xL.
Lee et al. (2019)
2 more