› 4z6i

X-ray diffraction
1.95Å resolution

Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand

Released:
DOI: 10.2210/pdb4z6i/pdb
PDB entry 4z6i coloured by chain, front view.
PDB entry 4z6i coloured by chain, side view.
PDB entry 4z6i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Clark PG, Vieira LC, Tallant C, Fedorov O, Singleton DC, Rogers CM, Monteiro OP, Bennett JM, Baronio R, Müller S, Daniels DL, Méndez J, Knapp S, Brennan PE, Dixon DJ
Angew Chem Int Ed Engl 54 6217-21 (2015)
PMID: 25864491

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%)
Gene names: BRD9, UNQ3040/PRO9856
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand 4L3 2 x 4L3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Unit cell:
a: 60.015Å b: 29.458Å c: 141.187Å
α: 90° β: 92.24° γ: 90°
R-values:
R R work R free
0.184 0.181 0.23
Expression system: Escherichia coli

Quick links

Citations

21 review citations

Epigenomic regulation of oncogenesis by chromatin remodeling.
Kumar et al. (2016)
20 more

2 mentions without citation

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