› 6fh6

X-ray diffraction
2.08Å resolution

Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 1

Released:
DOI: 10.2210/pdb6fh6/pdb
PDB 6fh6 coloured by chain and viewed from the front.
PDB 6fh6 coloured by chain and viewed from the side.
PDB 6fh6 coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
Dalle Vedove A, Spiliotopoulos D, D'Agostino VG, Marchand JR, Unzue A, Nevado C, Lolli G, Caflisch A
ChemMedChem 13 1479-1487 (2018)
PMID: 29770599

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 adjacent to zinc finger domain protein 2B Chain: A
Molecule details ›
Chain: A
Length: 117 amino acids
Theoretical weight: 13.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9UIF8 (Residues: 2054-2168; Coverage: 5%)
Gene names: BAZ2B, KIAA1476
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand D8Q 1 x D8Q
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2221
Unit cell:
a: 79.744Å b: 95.997Å c: 57.725Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.21 0.246
Expression system: Escherichia coli

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Citations

2 citation in other articles

Binding Selectivity of Inhibitors toward Bromodomains BAZ2A and BAZ2B Uncovered by Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations.
Wang et al. (2021)
1 more