› 6ept

X-ray diffraction
1.65Å resolution

The ATAD2 bromodomain in complex with compound 12

Released:
DOI: 10.2210/pdb6ept/pdb
PDB entry 6ept coloured by chain, front view.
PDB entry 6ept coloured by chain, side view.
PDB entry 6ept coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Dolbois A, Batiste L, Wiedmer L, Dong J, Brütsch M, Huang D, Deerain NM, Spiliotopoulos D, Cheng-Sánchez I, Laul E, Nevado C, Śledź P, Caflisch A
ACS Med Chem Lett 11 1573-1580 (2020)
PMID: 32832026

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-180199 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ATPase family AAA domain-containing protein 2 Chain: A
Molecule details ›
Chain: A
Length: 130 amino acids
Theoretical weight: 15.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6PL18 (Residues: 981-1108; Coverage: 9%)
Gene names: ATAD2, L16, PRO2000
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand SO4 1 x SO4
Ligand G1E 1 x G1E
Ligand BQQ 1 x BQQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P6522
Unit cell:
a: 79.74Å b: 79.74Å c: 139.211Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.203 0.202 0.226
Expression system: Escherichia coli

Quick links

Citations

1 review citation

ATPase family AAA domain-containing protein 2 (ATAD2): From an epigenetic modulator to cancer therapeutic target.
Fu et al. (2023)
2 other articles