› 4oyd

X-ray diffraction
1.8Å resolution

Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein

Released:
DOI: 10.2210/pdb4oyd/pdb
PDB entry 4oyd coloured by chain, front view.
PDB entry 4oyd coloured by chain, side view.
PDB entry 4oyd coloured by chain, top view.
Source organisms:
Primary publication:
A computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein induces apoptosis in infected cells.
Procko E, Berguig GY, Shen BW, Song Y, Frayo S, Convertine AJ, Margineantu D, Booth G, Correia BE, Cheng Y, Schief WR, Hockenbery DM, Press OW, Stoddard BL, Stayton PS, Baker D
Cell 157 1644-1656 (2014)
PMID: 24949974

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-143144 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Apoptosis regulator BHRF1 Chains: A, C
Molecule details ›
Chains: A, C
Length: 158 amino acids
Theoretical weight: 18.12 KDa
Source organism: Epstein-barr virus strain ag876
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0C6Z1 (Residues: 2-158; Coverage: 82%)
Gene name: BHRF1
Sequence domains: Apoptosis regulator proteins, Bcl-2 family
Structure domains: Blc2-like
Computationally designed Inhibitor Chains: B, D
Molecule details ›
Chains: B, D
Length: 117 amino acids
Theoretical weight: 13.88 KDa
Source organism: synthetic construct
Expression system: Not provided
Structure domains: Ribosome-recycling factor

Ligands and Environments

1 bound ligand:
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P21
Unit cell:
a: 52.103Å b: 113.869Å c: 55.67Å
α: 90° β: 90.03° γ: 90°
R-values:
R R work R free
0.147 0.145 0.178
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

22 review citations

Engineering CAR-T cells: Design concepts.
Srivastava et al. (2015)
21 more

3 mentions without citation

A computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein induces apoptosis in infected cells.
Procko et al. (2014)
2 more