› 4z6h

X-ray diffraction
1.8Å resolution

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

Released:
DOI: 10.2210/pdb4z6h/pdb
PDB 4z6h coloured by chain and viewed from the front.
PDB 4z6h coloured by chain and viewed from the side.
PDB 4z6h coloured by chain and viewed from the top.
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)
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 4L2 2 x 4L2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21212
Unit cell:
a: 71.233Å b: 125.22Å c: 29.775Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.221 0.271
Expression system: Escherichia coli

Quick links

Citations

19 review citations

PROTACs for BRDs proteins in cancer therapy: a review.
Wang et al. (2022)
18 more

1 mention without citation

Theoretical exploration of the binding selectivity of inhibitors to BRD7 and BRD9 with multiple short molecular dynamics simulations.
Wang et al. (2022)