› 5jwm

X-ray diffraction
1.71Å resolution

Bivalent BET Bromodomain Inhibition

Released:
DOI: 10.2210/pdb5jwm/pdb
PDB entry 5jwm coloured by chain, front view.
PDB entry 5jwm coloured by chain, side view.
PDB entry 5jwm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and characterization of bivalent BET inhibitors.
Tanaka M, Roberts JM, Seo HS, Souza A, Paulk J, Scott TG, DeAngelo SL, Dhe-Paganon S, Bradner JE
OpenAccess logo Nat Chem Biol 12 1089-1096 (2016)
PMID: 27775715

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: 130 amino acids
Theoretical weight: 15.06 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 333-460; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand 6ON 1 x 6ON
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: C2221
Unit cell:
a: 75.67Å b: 107.14Å c: 74.84Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.146 0.145 0.168
Expression system: Escherichia coli

Quick links

Citations

26 review citations

Lysine Acetylation Goes Global: From Epigenetics to Metabolism and Therapeutics.
Ali et al. (2018)
25 more

3 mentions without citation

Targeting bromodomain-containing proteins: research advances of drug discovery.
Pan et al. (2023)
2 more