› 6ww8

X-ray diffraction
2.3Å resolution

BRD4 Bromodomain 1 in complex with triple CDK4/6-PI3K-BET inhibitor

Released:
DOI: 10.2210/pdb6ww8/pdb
PDB entry 6ww8 coloured by chain, front view.
PDB entry 6ww8 coloured by chain, side view.
PDB entry 6ww8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A triple action CDK4/6-PI3K-BET inhibitor with augmented cancer cell cytotoxicity.
Burgoyne AM, Vann KR, Joshi S, Morales GA, Vega FM, Singh A, Pal D, Merati AB, Kutateladze TG, Durden DL
Cell Discov 6 49 (2020)
PMID: 32793389

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: 138 amino acids
Theoretical weight: 16.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 43-180; Coverage: 10%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain

Ligands and Environments

1 bound ligand:
Ligand YR0 1 x YR0
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P31
Unit cell:
a: 45.318Å b: 45.318Å c: 61.895Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.197 0.193 0.235
Expression system: Escherichia coli

Quick links

Citations

3 review citations

BET Proteins as Attractive Targets for Cancer Therapeutics.
Sarnik et al. (2021)
2 more