› 6hov

X-ray diffraction
1.85Å resolution

Crystal Structure of BRD4 first bromodomain in complex with ferulic acid

Released:
DOI: 10.2210/pdb6hov/pdb
PDB entry 6hov coloured by chain, front view.
PDB entry 6hov coloured by chain, side view.
PDB entry 6hov coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Cozza G, Zonta F, Dalle Vedove A, Venerando A, Dall'Acqua S, Battistutta R, Ruzzene M, Lolli G
FEBS J 287 1850-1864 (2020)
PMID: 31661600

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
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

2 bound ligands:
Ligand EDO 2 x EDO
Ligand FER 1 x FER
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P212121
Unit cell:
a: 36.71Å b: 43.804Å c: 76.996Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.187 0.216
Expression system: Escherichia coli

Quick links

Citations

4 citation in other articles

Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations.
Pavan et al. (2022)
3 more

2 mentions without citation

Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Cozza et al. (2020)
1 more