› 6yb4

X-ray diffraction
1.85Å resolution

Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-(3-methylpyrrolidin-1-yl)sulfonyl)phenyl)-2-(-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

Released:
DOI: 10.2210/pdb6yb4/pdb
PDB entry 6yb4 coloured by chain, front view.
PDB entry 6yb4 coloured by chain, side view.
PDB entry 6yb4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimization of Potent ATAD2 and CECR2 Bromodomain Inhibitors with an Atypical Binding Mode.
Lucas SCC, Atkinson SJ, Bamborough P, Barnett H, Chung CW, Gordon L, Mitchell DJ, Phillipou A, Prinjha RK, Sheppard RJ, Tomkinson NCO, Watson RJ, Demont EH
J Med Chem 63 5212-5241 (2020)
PMID: 32321240

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: AAA
Molecule details ›
Chain: AAA
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

Ligands and Environments

3 bound ligands:
Ligand SO4 2 x SO4
Ligand EDO 3 x EDO
Ligand OJH 1 x OJH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P6522
Unit cell:
a: 79.407Å b: 79.407Å c: 137.969Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.191 0.19 0.215
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Tumor-Promoting ATAD2 and Its Preclinical Challenges.
Liu et al. (2022)
2 more

4 mentions without citation

AAA ATPases as therapeutic targets: Structure, functions, and small-molecule inhibitors.
Zhang et al. (2021)
3 more