› 4xy8

X-ray diffraction
1.7Å resolution

Crystal Structure of the bromodomain of BRD9 in complex with a 2-amine-9H-purine ligand

Released:
DOI: 10.2210/pdb4xy8/pdb
PDB entry 4xy8 coloured by chain, front view.
PDB entry 4xy8 coloured by chain, side view.
PDB entry 4xy8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
9H-purine scaffold reveals induced-fit pocket plasticity of the BRD9 bromodomain.
Picaud S, Strocchia M, Terracciano S, Lauro G, Mendez J, Daniels DL, Riccio R, Bifulco G, Bruno I, Filippakopoulos P
J Med Chem 58 2718-36 (2015)
PMID: 25703523

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 Chain: A
Molecule details ›
Chain: A
Length: 123 amino acids
Theoretical weight: 14.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9H8M2 (Residues: 134-243; Coverage: 18%)
Gene names: BRD9, UNQ3040/PRO9856
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand 43U 1 x 43U
Ligand BR 1 x BR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: C2
Unit cell:
a: 80.716Å b: 43.604Å c: 40.88Å
α: 90° β: 104.34° γ: 90°
R-values:
R R work R free
0.15 0.148 0.186
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

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

5 mentions without citation

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