› 4bw4

X-ray diffraction
1.67Å resolution

The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand

Released:
DOI: 10.2210/pdb4bw4/pdb
PDB entry 4bw4 coloured by chain, front view.
PDB entry 4bw4 coloured by chain, side view.
PDB entry 4bw4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Naphthyridines as novel BET family bromodomain inhibitors.
Mirguet O, Lamotte Y, Chung CW, Bamborough P, Delannée D, Bouillot A, Gellibert F, Krysa G, Lewis A, Witherington J, Huet P, Dudit Y, Trottet L, Nicodeme E
ChemMedChem 9 580-9 (2014)
PMID: 24000170

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
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand 9B6 1 x 9B6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 43.67Å b: 48.665Å c: 60.88Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.189 0.22
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Targeting bromodomains: epigenetic readers of lysine acetylation.
Filippakopoulos et al. (2014)
5 more

1 mention without citation

The role of ZA channel water-mediated interactions in the design of bromodomain-selective BET inhibitors.
Bharatham et al. (2018)