› 7qyw

X-ray diffraction
2.1Å resolution

BAZ2A bromodomain in complex with acetylpyrrole derivative compound 111

Released:
DOI: 10.2210/pdb7qyw/pdb
PDB entry 7qyw coloured by chain, front view.
PDB entry 7qyw coloured by chain, side view.
PDB entry 7qyw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Dalle Vedove A, Cazzanelli G, Batiste L, Marchand JR, Spiliotopoulos D, Corsi J, D'Agostino VG, Caflisch A, Lolli G
OpenAccess logo ACS Med Chem Lett 13 1434-1443 (2022)
PMID: 36105334

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: 12.36 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

Ligands and Environments

2 bound ligands:
Ligand GIJ 1 x GIJ
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 11.2C
Spacegroup: P3121
Unit cell:
a: 94.557Å b: 94.557Å c: 33.174Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.182 0.181 0.21
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Reevaluation of bromodomain ligands targeting BAZ2A.
Cazzanelli et al. (2023)