6bnb

X-ray diffraction
6.34Å resolution

Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET57 PROTAC

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-130135 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
DNA damage-binding protein 1 Chain: A
Molecule details ›
Chain: A
Length: 864 amino acids
Theoretical weight: 96.43 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q16531 (Residues: 1-395, 706-1140; Coverage: 73%)
Gene names: DDB1, XAP1
Sequence domains:
Protein cereblon Chain: B
Molecule details ›
Chain: B
Length: 463 amino acids
Theoretical weight: 53.01 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q96SW2 (Residues: 1-442; Coverage: 100%)
Gene names: AD-006, CRBN
Sequence domains:
Bromodomain-containing protein 4 Chain: C
Molecule details ›
Chain: C
Length: 127 amino acids
Theoretical weight: 15.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 42-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

1 bound ligand:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: I422
Unit cell:
a: 313.355Å b: 313.355Å c: 167.371Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.339 0.337 0.38
Expression systems:
  • Trichoplusia ni
  • Escherichia coli