› 5f1h

X-ray diffraction
1.82Å resolution

Crystal structure of the BRD9 bromodamian in complex with BI-9564.

Released:
DOI: 10.2210/pdb5f1h/pdb
PDB entry 5f1h coloured by chain, front view.
PDB entry 5f1h coloured by chain, side view.
PDB entry 5f1h coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H, Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A, Pearson M, Boehmelt G, McConnell D
OpenAccess logo J Med Chem 59 4462-75 (2016)
PMID: 26914985

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-574455 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 9 Chains: A, B
Molecule details ›
Chains: A, B
Length: 123 amino acids
Theoretical weight: 14.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9H8M2 (Residues: 134-243; Coverage: 18%)
  • Best match: Q9H8M2-1 (Residues: 14-134)
Gene names: BRD9, UNQ3040/PRO9856
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand 5U6 2 x 5U6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21212
Unit cell:
a: 70.03Å b: 125.358Å c: 29.681Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.191 0.202
Expression system: Escherichia coli

Quick links

Citations

29 review citations

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

6 mentions without citation

Selectivity on-target of bromodomain chemical probes by structure-guided medicinal chemistry and chemical biology.
Galdeano et al. (2016)
5 more