› 7pqi

X-ray diffraction
1.9Å resolution

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-245398 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DNA gyrase subunit B Chain: A
Molecule details ›
Chain: A
Length: 206 amino acids
Theoretical weight: 22.77 KDa
Source organism: Acinetobacter baumannii 1419130
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

2 bound ligands:
Ligand NOV 1 x NOV
Ligand EDO 5 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P41212
Unit cell:
a: 42.869Å b: 42.869Å c: 256.192Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.216 0.237
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Developments in Non-Intercalating Bacterial Topoisomerase Inhibitors: Allosteric and ATPase Inhibitors of DNA Gyrase and Topoisomerase IV.
Grossman et al. (2023)
4 other articles

1 mention without citation

Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
Cotman et al. (2023)