› 6fgf

X-ray diffraction
2.8Å resolution

Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 2

Released:
DOI: 10.2210/pdb6fgf/pdb
PDB entry 6fgf coloured by chain, front view.
PDB entry 6fgf coloured by chain, side view.
PDB entry 6fgf coloured by chain, top view.
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)
Assembly name:
PDBe Complex ID:
PDB-CPX-193785 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain adjacent to zinc finger domain protein 2A Chain: A
Molecule details ›
Chain: A
Length: 105 amino acids
Theoretical weight: 12.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9UIF9 (Residues: 1796-1898; Coverage: 5%)
Gene names: BAZ2A, KIAA0314, TIP5
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand EN2 1 x EN2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P3121
Unit cell:
a: 95.339Å b: 95.339Å c: 32.546Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.221 0.219 0.256
Expression system: Escherichia coli

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Citations

8 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)
7 more