› 6uvj

X-ray diffraction
1.38Å resolution

Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor

Released:
DOI: 10.2210/pdb6uvj/pdb
PDB entry 6uvj coloured by chain, front view.
PDB entry 6uvj coloured by chain, side view.
PDB entry 6uvj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Johnson JA, Nicolaou CA, Kirberger SE, Pandey AK, Hu H, Pomerantz WCK
ACS Med Chem Lett 10 1648-1654 (2019)
PMID: 31857841

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 BL21(DE3)
UniProt:
  • Canonical: O60885 (Residues: 44-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

3 bound ligands:
Ligand EDO 3 x EDO
Ligand DMS 1 x DMS
Ligand QJ1 1 x QJ1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P212121
Unit cell:
a: 37.41Å b: 44.31Å c: 78.24Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.185 0.196
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

SAR by (Protein-Observed) 19F NMR.
Divakaran et al. (2019)
3 more

1 mention without citation

Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Johnson et al. (2019)