› 4lyw

X-ray diffraction
1.95Å resolution

Crystal Structure of BRD4(1) bound to inhibitor XD14

Released:
DOI: 10.2210/pdb4lyw/pdb
PDB entry 4lyw coloured by chain, front view.
PDB entry 4lyw coloured by chain, side view.
PDB entry 4lyw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Lucas X, Wohlwend D, Hügle M, Schmidtkunz K, Gerhardt S, Schüle R, Jung M, Einsle O, Günther S
Angew Chem Int Ed Engl 52 14055-9 (2013)
PMID: 24272870

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: 15.08 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

1 bound ligand:
Ligand 21Q 1 x 21Q
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 41.81Å b: 47.92Å c: 57.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.197 0.236
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

18 review citations

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

3 mentions without citation

Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4.
Allen et al. (2015)
2 more