› 5nne

X-ray diffraction
1.15Å resolution

Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated TOP2A peptide (K1201ac/K1204ac)

Released:
DOI: 10.2210/pdb5nne/pdb
PDB entry 5nne coloured by chain, front view.
PDB entry 5nne coloured by chain, side view.
PDB entry 5nne coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Lambert JP, Picaud S, Fujisawa T, Hou H, Savitsky P, Uusküla-Reimand L, Gupta GD, Abdouni H, Lin ZY, Tucholska M, Knight JDR, Gonzalez-Badillo B, St-Denis N, Newman JA, Stucki M, Pelletier L, Bandeira N, Wilson MD, Filippakopoulos P, Gingras AC
Mol Cell 73 621-638.e17 (2019)
PMID: 30554943

Function and Biology Details

Reaction catalysed: 
ATP-dependent breakage, passage and rejoining of double-stranded DNA
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130116 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
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
DNA topoisomerase 2-alpha Chain: C
Molecule details ›
Chain: C
Length: 11 amino acids
Theoretical weight: 1.33 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P11388 (Residues: 1198-1207; Coverage: 1%)
Gene names: TOP2, TOP2A

Ligands and Environments

1 bound ligand:
Ligand EDO 1 x EDO
1 modified residue:
Ligand ALY 2 x ALY

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 41.347Å b: 53.032Å c: 58.193Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.14 0.139 0.164
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

19 review citations

Inhibitors of bromodomain and extra-terminal proteins for treating multiple human diseases.
Kulikowski et al. (2021)
18 more

6 mentions without citation

Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Lambert et al. (2019)
5 more