› 4clb

X-ray diffraction
1.6Å resolution

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295

Released:
DOI: 10.2210/pdb4clb/pdb
PDB entry 4clb coloured by chain, front view.
PDB entry 4clb coloured by chain, side view.
PDB entry 4clb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The Structure Based Design of Dual Hdac/Bet Inhibitors as Novel Epigenetic Probes.
Atkinson SJ, Soden PE, Angell DC, Bantscheff M, Chung C, Giblin KA, Smithers N, Furze RC, Gordon L, Drewes G, Rioja I, Witherington J, Parr NJ, Prinjha RK
Medchemcomm 5 342- (2014)

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: 44-168; 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 83T 1 x 83T
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 41.784Å b: 49.417Å c: 57.269Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.165 0.205
Expression system: Escherichia coli

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