6bn7

X-ray diffraction
3.5Å resolution

Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC.

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (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%)
  • Best match: Q16531-2 (Residues: 59-451)
Gene names: DDB1, XAP1
Sequence domains: CPSF A subunit region
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%)
  • Best match: Q96SW2-2 (Residues: 1-441)
Gene names: AD-006, CRBN
Sequence domains:
Bromodomain-containing protein 4 Chain: C
Molecule details ›
Chain: C
Length: 127 amino acids
Theoretical weight: 15.1 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

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P6522
Unit cell:
a: 115.571Å b: 115.571Å c: 596.315Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.212 0.256
Expression systems:
  • Trichoplusia ni
  • Escherichia coli