› 4lzs

X-ray diffraction
2.2Å resolution

Crystal Structure of BRD4(1) bound to inhibitor XD46

Released:
DOI: 10.2210/pdb4lzs/pdb
PDB entry 4lzs coloured by chain, front view.
PDB entry 4lzs coloured by chain, side view.
PDB entry 4lzs 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: 15.1 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

1 bound ligand:
Ligand L46 1 x L46
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 37.42Å b: 43.9Å c: 77.53Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.192 0.242
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

Diversity-guided Lamarckian random drift particle swarm optimization for flexible ligand docking.
Li et al. (2020)
2 more