› 5nnd

X-ray diffraction
1.82Å resolution

Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac)

Released:
DOI: 10.2210/pdb5nnd/pdb
PDB entry 5nnd coloured by chain, front view.
PDB entry 5nnd coloured by chain, side view.
PDB entry 5nnd 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

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-130124 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
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
Histone H3.1 Chains: D, E
Molecule details ›
Chains: D, E
Length: 17 amino acids
Theoretical weight: 2.07 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P68431 (Residues: 5-21; Coverage: 13%)
Gene names: H3C1, H3C10, H3C11, H3C12, H3C2, H3C3, H3C4, H3C6, H3C7, H3C8, H3FA, H3FB, H3FC HIST1H3C, H3FD, H3FF, H3FH, H3FI, H3FJ, H3FK, H3FL, HIST1H3A, HIST1H3B, HIST1H3D, HIST1H3E, HIST1H3F, HIST1H3G, HIST1H3H, HIST1H3I, HIST1H3J

Ligands and Environments

1 bound ligand:
Ligand EDO 1 x EDO
2 modified residues:
Ligand ALY 4 x ALY
Ligand SEP 2 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P21
Unit cell:
a: 42.63Å b: 50.49Å c: 64.54Å
α: 90° β: 89.99° γ: 90°
R-values:
R R work R free
0.21 0.206 0.285
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

1 mention without citation

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