› 5kj0

X-ray diffraction
1.51Å resolution

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2

Released:
DOI: 10.2210/pdb5kj0/pdb
PDB entry 5kj0 coloured by chain, front view.
PDB entry 5kj0 coloured by chain, side view.
PDB entry 5kj0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET.
Koblan LW, Buckley DL, Ott CJ, Fitzgerald ME, Ember SW, Zhu JY, Liu S, Roberts JM, Remillard D, Vittori S, Zhang W, Schonbrunn E, Bradner JE
ChemMedChem 11 2575-2581 (2016)
PMID: 27862999

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130112 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 4 Chain: A
Molecule details ›
Chain: A
Length: 127 amino acids
Theoretical weight: 15.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand 6TB 1 x 6TB
Ligand EDO 7 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 37.11Å b: 44.7Å c: 77.72Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.139 0.139 0.17
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Targeting Bromodomain and Extraterminal Proteins for Drug Discovery: From Current Progress to Technological Development.
Tang et al. (2021)
2 more