› 5acy

X-ray diffraction
2.01Å resolution

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-(2R,4S)-2-methyl-4-(phenylamino)-6-4-(piperidin-1-ylmethyl)phenyl-1,2,3,4- tetrahydroquinolin-1-yl-ethan-1-one

Released:
DOI: 10.2210/pdb5acy/pdb
PDB entry 5acy coloured by chain, front view.
PDB entry 5acy coloured by chain, side view.
PDB entry 5acy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Autism-like syndrome is induced by pharmacological suppression of BET proteins in young mice.
Sullivan JM, Badimon A, Schaefer U, Ayata P, Gray J, Chung CW, von Schimmelmann M, Zhang F, Garton N, Smithers N, Lewis H, Tarakhovsky A, Prinjha RK, Schaefer A
J Exp Med 212 1771-81 (2015)
PMID: 26392221

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

Ligands and Environments

2 bound ligands:
Ligand EDO 3 x EDO
Ligand 9S3 2 x 9S3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 42.149Å b: 59.497Å c: 108.025Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.211 0.271
Expression system: Escherichia coli

Quick links

Citations

12 review citations

Epigenetic Regulation in Neurodegenerative Diseases.
Berson et al. (2018)
11 more

1 mention without citation

Autism-like syndrome is induced by pharmacological suppression of BET proteins in young mice.
Sullivan et al. (2015)