› 5u2c

X-ray diffraction
3.3Å resolution

BRD4 second bromodomain (BD2) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA

Released:
DOI: 10.2210/pdb5u2c/pdb
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PDB entry 5u2c coloured by chain, front view.
PDB entry 5u2c coloured by chain, side view.
PDB entry 5u2c 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: 124 amino acids
Theoretical weight: 14.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 342-460; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand 82Y 2 x 82Y
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P3121
Unit cell:
a: 88.139Å b: 88.139Å c: 98.655Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.279 0.276 0.296
Expression system: Escherichia coli

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Citations

21 review citations

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

5 mentions without citation

Dual-target inhibitors of bromodomain and extra-terminal proteins in cancer: A review from medicinal chemistry perspectives.
Feng et al. (2022)
4 more

PDB-REDO

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