› 6zs4

X-ray diffraction
2Å resolution

Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate

Released:
DOI: 10.2210/pdb6zs4/pdb
PDB entry 6zs4 coloured by chain, front view.
PDB entry 6zs4 coloured by chain, side view.
PDB entry 6zs4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
Wanior M, Preuss F, Ni X, Krämer A, Mathea S, Göbel T, Heidenreich D, Simonyi S, Kahnt AS, Joerger AC, Knapp S
J Med Chem 63 14680-14699 (2020)
PMID: 33216538

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183177 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein polybromo-1 Chain: A
Molecule details ›
Chain: A
Length: 124 amino acids
Theoretical weight: 14.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q86U86 (Residues: 645-766; Coverage: 7%)
Gene names: BAF180, PB1, PBRM1
Sequence domains: Bromodomain

Ligands and Environments

2 bound ligands:
Ligand QP8 1 x QP8
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2
Unit cell:
a: 126.27Å b: 29.74Å c: 36.61Å
α: 90° β: 96.41° γ: 90°
R-values:
R R work R free
0.19 0.188 0.23
Expression system: Escherichia coli

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Citations

5 review citations

Rare Subtype of Endometrial Cancer: Undifferentiated/Dedifferentiated Endometrial Carcinoma, from Genetic Aspects to Clinical Practice.
Tung et al. (2022)
4 more

1 mention without citation

Exploiting vulnerabilities of SWI/SNF chromatin remodelling complexes for cancer therapy.
Wanior et al. (2021)