› 6mau

X-ray diffraction
2.11Å resolution

Crystal structure of human BRD4(1) in complex with CN210 (compound 19)

Released:
DOI: 10.2210/pdb6mau/pdb
PDB entry 6mau coloured by chain, front view.
PDB entry 6mau coloured by chain, side view.
PDB entry 6mau coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Yang SM, Yoshioka M, Strovel JW, Urban DJ, Hu X, Hall MD, Jadhav A, Maloney DJ
Bioorg Med Chem Lett 29 1220-1226 (2019)
PMID: 30905542

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: 129 amino acids
Theoretical weight: 15.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O60885 (Residues: 44-170; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand JBS 1 x JBS
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P212121
Unit cell:
a: 42.631Å b: 39.03Å c: 94.913Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.184 0.253
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Bromodomain inhibitors and therapeutic applications.
Gajjela et al. (2023)
3 other articles

2 mentions without citation

Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Yang et al. (2019)
1 more