› 7jkw

X-ray diffraction
1.2Å resolution

Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with ZN1-99

Released:
DOI: 10.2210/pdb7jkw/pdb
PDB entry 7jkw coloured by chain, front view.
PDB entry 7jkw coloured by chain, side view.
PDB entry 7jkw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
Li Y, Zhao J, Gutgesell LM, Shen Z, Ratia K, Dye K, Dubrovskyi O, Zhao H, Huang F, Tonetti DA, Thatcher GRJ, Xiong R
J Med Chem 63 7186-7210 (2020)
PMID: 32453591

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: 15.12 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

Ligands and Environments

1 bound ligand:
Ligand VCV 1 x VCV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 38.187Å b: 42.229Å c: 90.627Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.169 0.185
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Recent advances in epigenetic anticancer therapeutics and future perspectives.
Ren et al. (2022)
3 other articles