4ggl

X-ray diffraction
1.69Å resolution

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity

Released:

Function and Biology Details

Reaction catalysed:
ATP-dependent breakage, passage and rejoining of double-stranded DNA
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182889 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DNA gyrase subunit B Chain: A
Molecule details ›
Chain: A
Length: 215 amino acids
Theoretical weight: 23.84 KDa
Source organism: Enterococcus faecalis V583
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q839Z1 (Residues: 18-224; Coverage: 32%)
Gene names: EF_0005, gyrB
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
Structure domains: Histidine kinase-like ATPase, C-terminal domain

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P212121
Unit cell:
a: 54.851Å b: 58.58Å c: 66.113Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.267 0.173 0.202
Expression system: Escherichia coli BL21(DE3)