› 5u2e

X-ray diffraction
1.99Å resolution

BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535

Released:
DOI: 10.2210/pdb5u2e/pdb
PDB entry 5u2e coloured by chain, front view.
PDB entry 5u2e coloured by chain, side view.
PDB entry 5u2e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Andrews FH, Singh AR, Joshi S, Smith CA, Morales GA, Garlich JR, Durden DL, Kutateladze TG
Proc Natl Acad Sci U S A 114 E1072-E1080 (2017)
PMID: 28137841

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: 140 amino acids
Theoretical weight: 16.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: O60885 (Residues: 42-180; Coverage: 10%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand 837 2 x 837
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 61.943Å b: 39.701Å c: 62.47Å
α: 90° β: 100.14° γ: 90°
R-values:
R R work R free
0.2 0.196 0.24
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Quick links

Citations

22 review citations

Mission Possible: Advances in MYC Therapeutic Targeting in Cancer.
Allen-Petersen et al. (2019)
21 more

2 mentions without citation

Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Andrews et al. (2017)
1 more