› 4uyd

X-ray diffraction
1.37Å resolution

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide

Released:
DOI: 10.2210/pdb4uyd/pdb
PDB entry 4uyd coloured by chain, front view.
PDB entry 4uyd coloured by chain, side view.
PDB entry 4uyd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain.
Demont EH, Bamborough P, Chung CW, Craggs PD, Fallon D, Gordon LJ, Grandi P, Hobbs CI, Hussain J, Jones EJ, Le Gall A, Michon AM, Mitchell DJ, Prinjha RK, Roberts AD, Sheppard RJ, Watson RJ
ACS Med Chem Lett 5 1190-5 (2014)
PMID: 25408830

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: 153 amino acids
Theoretical weight: 17.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 44-183; Coverage: 10%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand DMS 1 x DMS
Ligand EDO 1 x EDO
Ligand V1T 1 x V1T
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 37.42Å b: 44.2Å c: 78.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.174 0.188
Expression system: Escherichia coli

Quick links

Citations

15 review citations

NanoLuc: A Small Luciferase Is Brightening Up the Field of Bioluminescence.
England et al. (2016)
14 more

2 mentions without citation

The role of ZA channel water-mediated interactions in the design of bromodomain-selective BET inhibitors.
Bharatham et al. (2018)
1 more