› 5dfb

X-ray diffraction
1.4Å resolution

Crystal structure of BRD2(BD2) mutant W370F in the free form

Released:
DOI: 10.2210/pdb5dfb/pdb
PDB entry 5dfb coloured by chain, front view.
PDB entry 5dfb coloured by chain, side view.
PDB entry 5dfb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
Baud MG, Lin-Shiao E, Zengerle M, Tallant C, Ciulli A
J Med Chem 59 1492-500 (2016)
PMID: 26367539

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150468 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 2 Chain: A
Molecule details ›
Chain: A
Length: 114 amino acids
Theoretical weight: 13.34 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P25440 (Residues: 344-455; Coverage: 14%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand NI 1 x NI
Ligand 2PE 1 x 2PE
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Unit cell:
a: 32.118Å b: 52.731Å c: 71.464Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.158 0.157 0.169
Expression system: Escherichia coli BL21(DE3)

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Citations

8 review citations

Lysine Acetylation Goes Global: From Epigenetics to Metabolism and Therapeutics.
Ali et al. (2018)
7 more