› 3zyu

X-ray diffraction
1.5Å resolution

Crystal Structure of the first bromodomain of human BRD4 in complex with I-BET151(GSK1210151A)

Released:
DOI: 10.2210/pdb3zyu/pdb
PDB entry 3zyu coloured by chain, front view.
PDB entry 3zyu coloured by chain, side view.
PDB entry 3zyu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Inhibition of BET recruitment to chromatin as an effective treatment for MLL-fusion leukaemia.
Dawson MA, Prinjha RK, Dittmann A, Giotopoulos G, Bantscheff M, Chan WI, Robson SC, Chung CW, Hopf C, Savitski MM, Huthmacher C, Gudgin E, Lugo D, Beinke S, Chapman TD, Roberts EJ, Soden PE, Auger KR, Mirguet O, Doehner K, Delwel R, Burnett AK, Jeffrey P, Drewes G, Lee K, Huntly BJ, Kouzarides T
Nature 478 529-33 (2011)
PMID: 21964340

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
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 7 x EDO
Ligand 1GH 2 x 1GH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 41.894Å b: 59.542Å c: 109.195Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.162 0.201
Expression system: Escherichia coli

Quick links

Citations

318 review citations

Cancer epigenetics: from mechanism to therapy.
Dawson et al. (2012)
317 more

20 mentions without citation

Readout of epigenetic modifications.
Patel et al. (2013)
19 more