› 4ogi

X-ray diffraction
1.73Å resolution

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor BI-2536

Released:
DOI: 10.2210/pdb4ogi/pdb
PDB entry 4ogi coloured by chain, front view.
PDB entry 4ogi coloured by chain, side view.
PDB entry 4ogi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
Ciceri P, Müller S, O'Mahony A, Fedorov O, Filippakopoulos P, Hunt JP, Lasater EA, Pallares G, Picaud S, Wells C, Martin S, Wodicka LM, Shah NP, Treiber DK, Knapp S
Nat Chem Biol 10 305-12 (2014)
PMID: 24584101

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 Chains: A, B
Molecule details ›
Chains: A, B
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 EDO 2 x EDO
Ligand R78 2 x R78
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 42.243Å b: 59.64Å c: 115.345Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

62 review citations

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

8 mentions without citation

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