› 4ir5

X-ray diffraction
1.7Å resolution

Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone (GSK2847449A)

Released:
DOI: 10.2210/pdb4ir5/pdb
PDB entry 4ir5 coloured by chain, front view.
PDB entry 4ir5 coloured by chain, side view.
PDB entry 4ir5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
Chen P, Chaikuad A, Bamborough P, Bantscheff M, Bountra C, Chung CW, Fedorov O, Grandi P, Jung D, Lesniak R, Lindon M, Müller S, Philpott M, Prinjha R, Rogers C, Selenski C, Tallant C, Werner T, Willson TM, Knapp S, Drewry DH
OpenAccess logo J Med Chem 59 1410-24 (2016)
PMID: 25799074

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-193783 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain adjacent to zinc finger domain protein 2B Chain: A
Molecule details ›
Chain: A
Length: 117 amino acids
Theoretical weight: 13.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9UIF8 (Residues: 2054-2168; Coverage: 5%)
Gene names: BAZ2B, KIAA1476
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand EDO 12 x EDO
Ligand IR5 1 x IR5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: C2221
Unit cell:
a: 82.09Å b: 96.52Å c: 57.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

17 review citations

Bromodomain inhibitors and cancer therapy: From structures to applications.
Pérez-Salvia et al. (2017)
16 more

2 mentions without citation

Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
Chen et al. (2016)
1 more