› 5f2p

X-ray diffraction
1.8Å resolution

Crystal structure of the BRD9 bromodomain in complex with compound 3.

Released:
DOI: 10.2210/pdb5f2p/pdb
PDB entry 5f2p coloured by chain, front view.
PDB entry 5f2p coloured by chain, side view.
PDB entry 5f2p 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-190676 (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 5TY 2 x 5TY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21212
Unit cell:
a: 70.924Å b: 125.413Å c: 29.525Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.203 0.22
Expression system: Escherichia coli

Quick links

Citations

31 review citations

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

1 mention without citation

Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
Martin et al. (2016)