› 4ps5

X-ray diffraction
1.4Å resolution

Crystal structure of the first bromodomain of human BRD4 in complex with TG101348

Released:
DOI: 10.2210/pdb4ps5/pdb
PDB entry 4ps5 coloured by chain, front view.
PDB entry 4ps5 coloured by chain, side view.
PDB entry 4ps5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Acetyl-lysine binding site of bromodomain-containing protein 4 (BRD4) interacts with diverse kinase inhibitors.
Ember SW, Zhu JY, Olesen SH, Martin MP, Becker A, Berndt N, Georg GI, Schönbrunn E
OpenAccess logo ACS Chem Biol 9 1160-71 (2014)
PMID: 24568369

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 BL21(DE3)
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand 2TA 2 x 2TA
Ligand EDO 3 x EDO
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 42.169Å b: 59.366Å c: 111.879Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.151 0.18
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

29 review citations

Kinase inhibitors: the road ahead.
Ferguson et al. (2018)
28 more

3 mentions without citation

A Comprehensive Overview of Globally Approved JAK Inhibitors.
Shawky et al. (2022)
2 more