› 2yj1

X-ray diffraction
2.24Å resolution

Puma BH3 foldamer in complex with Bcl-xL

Released:
DOI: 10.2210/pdb2yj1/pdb
PDB entry 2yj1 coloured by chain, front view.
PDB entry 2yj1 coloured by chain, side view.
PDB entry 2yj1 coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis of Bcl-xL recognition by a BH3-mimetic α/β-peptide generated by sequence-based design.
Lee EF, Smith BJ, Horne WS, Mayer KN, Evangelista M, Colman PM, Gellman SH, Fairlie WD
Chembiochem 12 2025-32 (2011)
PMID: 21744457

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-163363 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Bcl-2-like protein 1 Chains: A, C
Molecule details ›
Chains: A, C
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:
ALPHA-BETA-PUMA BH3 FOLDAMER Chains: B, D
Molecule details ›
Chains: B, D
Length: 23 amino acids
Theoretical weight: 2.62 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
6 modified residues:
Ligand HT7 2 x HT7
Ligand B3E 2 x B3E
Ligand B3Q 2 x B3Q
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: 58.918Å b: 71.382Å c: 75.605Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.19 0.253
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

6 review citations

Inhibition of α-helix-mediated protein-protein interactions using designed molecules.
Azzarito et al. (2013)
5 more

7 mentions without citation

Proteomimetics as protein-inspired scaffolds with defined tertiary folding patterns.
Horne et al. (2020)
6 more