› 6z7l

X-ray diffraction
1.62Å resolution

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789

Released:
DOI: 10.2210/pdb6z7l/pdb
Model geometry
Fit model/data
PDB entry 6z7l coloured by chain, front view.
PDB entry 6z7l coloured by chain, side view.
PDB entry 6z7l coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins.
Watson RJ, Bamborough P, Barnett H, Chung CW, Davis R, Gordon L, Grandi P, Petretich M, Phillipou A, Prinjha RK, Rioja I, Soden P, Werner T, Demont EH
J Med Chem 63 9045-9069 (2020)
PMID: 32691589

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: AAA
Molecule details ›
Chain: AAA
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

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

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 43.968Å b: 48.286Å c: 61.245Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.183 0.225
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Inhibitors of bromodomain and extra-terminal proteins for treating multiple human diseases.
Kulikowski et al. (2021)
6 more

2 mentions without citation

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