› 6uxq

X-ray diffraction
1.7Å resolution

Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4

Released:
DOI: 10.2210/pdb6uxq/pdb
PDB entry 6uxq coloured by chain, front view.
PDB entry 6uxq coloured by chain, side view.
PDB entry 6uxq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
BAK core dimers bind lipids and can be bridged by them.
Cowan AD, Smith NA, Sandow JJ, Kapp EA, Rustam YH, Murphy JM, Brouwer JM, Bernardini JP, Roy MJ, Wardak AZ, Tan IK, Webb AI, Gulbis JM, Smith BJ, Reid GE, Dewson G, Colman PM, Czabotar PE
Nat Struct Mol Biol 27 1024-1031 (2020)
PMID: 32929280

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-172524 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bcl-2 homologous antagonist/killer Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 85 amino acids
Theoretical weight: 9.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q16611 (Residues: 68-148; Coverage: 38%)
Gene names: BAK, BAK1, BCL2L7, CDN1
Sequence domains: Apoptosis regulator proteins, Bcl-2 family

Ligands and Environments

4 bound ligands:
Ligand SO4 4 x SO4
Ligand C8E 8 x C8E
Ligand EDO 3 x EDO
Ligand LBN 1 x LBN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: C2221
Unit cell:
a: 84.318Å b: 150.086Å c: 51.749Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.179 0.214
Expression system: Escherichia coli BL21

Quick links

Citations

11 review citations

The manipulation of apoptosis for cancer therapy using BH3-mimetic drugs.
Diepstraten et al. (2022)
10 more