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S. aureus GyrB ATPase domain in complex with small molecule inhibitor

X-ray diffraction
1.85Å resolution
PDB entry 3u2d coloured by chain, front view.
PDB entry 3u2d coloured by chain, side view.
PDB entry 3u2d coloured by chain, top view.
Source organism: Staphylococcus aureus
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: DNA gyrase subunit B
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Multimeric state: monomeric
Accessible surface area: 9990.39 Å2
Buried surface area: 169.57 Å2
Dissociation area: 34.08 Å2
Dissociation energy (ΔGdiss): 4.99 kcal/mol
Dissociation entropy (TΔSdiss): -1.47 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-140941
Assembly 2
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Assembly Name: DNA gyrase subunit B
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Multimeric state: monomeric
Accessible surface area: 9674.34 Å2
Buried surface area: 197.41 Å2
Dissociation area: 48.99 Å2
Dissociation energy (ΔGdiss): 6.51 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-140941

Macromolecules

DNA gyrase subunit B
Chains: A, B
Length: 198 amino acids
Theoretical weight: 22.55 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A0K8 (Residues: 14-233; Coverage: 31%)
Gene name: gyrB
Pfam: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
InterPro:
CATH: Histidine kinase-like ATPase, C-terminal domain
DNA gyrase subunit B in PDB entry 3u2d, assembly 1, front view.
DNA gyrase subunit B in PDB entry 3u2d, assembly 1, side view.
DNA gyrase subunit B in PDB entry 3u2d, assembly 1, top view.
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