› 4ksg

X-ray diffraction
1.75Å resolution

Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)

Released:
DOI: 10.2210/pdb4ksg/pdb
PDB entry 4ksg coloured by chain, front view.
PDB entry 4ksg coloured by chain, side view.
PDB entry 4ksg coloured by chain, top view.
Source organism: Enterococcus faecalis V583
Entry authors: Bensen DC, Akers-Rodriguez S, Tari LW

Function and Biology Details

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

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:
Ligand 920 1 x 920
Ligand TBU 1 x TBU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 54.68Å b: 58.66Å c: 65.99Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.209
Expression system: Escherichia coli BL21(DE3)

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