› 5lj1

X-ray diffraction
1.9Å resolution

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one

Released:
DOI: 10.2210/pdb5lj1/pdb
PDB entry 5lj1 coloured by chain, front view.
PDB entry 5lj1 coloured by chain, side view.
PDB entry 5lj1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Chemical Probe for the ATAD2 Bromodomain.
Bamborough P, Chung CW, Demont EH, Furze RC, Bannister AJ, Che KH, Diallo H, Douault C, Grandi P, Kouzarides T, Michon AM, Mitchell DJ, Prinjha RK, Rau C, Robson S, Sheppard RJ, Upton R, Watson RJ
Angew Chem Int Ed Engl 55 11382-6 (2016)
PMID: 27530368

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: 15.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 42-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand EDO 1 x EDO
Ligand 6XX 1 x 6XX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21212
Unit cell:
a: 41.67Å b: 109.19Å c: 30.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.168 0.237
Expression system: Escherichia coli

Quick links

Citations

11 review citations

AAA ATPases as therapeutic targets: Structure, functions, and small-molecule inhibitors.
Zhang et al. (2021)
10 more

1 mention without citation

A Chemical Probe for the ATAD2 Bromodomain.
Bamborough et al. (2016)