› 5d3n

X-ray diffraction
2.15Å resolution

First bromodomain of BRD4 bound to inhibitor XD40

Released:
DOI: 10.2210/pdb5d3n/pdb
PDB entry 5d3n coloured by chain, front view.
PDB entry 5d3n coloured by chain, side view.
PDB entry 5d3n coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
Hügle M, Lucas X, Weitzel G, Ostrovskyi D, Breit B, Gerhardt S, Einsle O, Günther S, Wohlwend D
J Med Chem 59 1518-30 (2016)
PMID: 26731611

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: 126 amino acids
Theoretical weight: 15.01 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 43-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand L40 1 x L40
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 39.08Å b: 43.5Å c: 79.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.208 0.235
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Drug Discovery Targeting Bromodomain-Containing Protein 4.
Liu et al. (2017)
5 more

1 mention without citation

Preparation data of the bromodomains BRD3(1), BRD3(2), BRD4(1), and BRPF1B and crystallization of BRD4(1)-inhibitor complexes.
Hügle et al. (2016)