Structure analysis

Crystal structure of a topoisomerase ATP inhibitor

X-ray diffraction
1.95Å resolution
Source organism: Streptococcus pneumoniae R6
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 9400 Å2
Buried surface area: 700 Å2
Dissociation area: 350 Å2
Dissociation energy (ΔGdiss): -5 kcal/mol
Dissociation entropy (TΔSdiss): 5 kcal/mol
Interface energy (ΔGint): 1 kcal/mol
Symmetry number: 1

Macromolecules

Chain: A
Length: 226 amino acids
Theoretical weight: 24.6 KDa
Source organism: Streptococcus pneumoniae R6
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8DQB5 (Residues: 1-226; Coverage: 35%)
Gene names: parE, spr0756
Pfam: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
InterPro:
CATH: Heat Shock Protein 90

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