› 4bpk

X-ray diffraction
1.76Å resolution

Bcl-xL bound to alpha beta Puma BH3 peptide 5

Released:
DOI: 10.2210/pdb4bpk/pdb
PDB entry 4bpk coloured by chain, front view.
PDB entry 4bpk coloured by chain, side view.
PDB entry 4bpk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-guided rational design of α/β-peptide foldamers with high affinity for BCL-2 family prosurvival proteins.
Smith BJ, Lee EF, Checco JW, Evangelista M, Gellman SH, Fairlie WD
Chembiochem 14 1564-72 (2013)
PMID: 23929624

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170529 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Bcl-2-like protein 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 157 amino acids
Theoretical weight: 17.83 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:
Bcl-2-binding component 3, isoforms 1/2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 22 amino acids
Theoretical weight: 2.5 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9BXH1 (Residues: 133-152; Coverage: 10%)
Gene names: BBC3, PUMA

Ligands and Environments

2 bound ligands:
Ligand CD 15 x CD
Ligand EDO 2 x EDO
7 modified residues:
Ligand HT7 2 x HT7
Ligand B3E 2 x B3E
Ligand B3Q 2 x B3Q
Ligand AHP 2 x AHP
Ligand HR7 2 x HR7
Ligand B3D 2 x B3D
Ligand B3A 2 x B3A

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 65.175Å b: 72.133Å c: 80.579Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.219 0.252
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

14 review citations

From basic apoptosis discoveries to advanced selective BCL-2 family inhibitors.
Ashkenazi et al. (2017)
13 more

2 mentions without citation

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