› 1kij

X-ray diffraction
2.3Å resolution

Crystal structure of the 43K ATPase domain of Thermus thermophilus gyrase B in complex with novobiocin

Released:
DOI: 10.2210/pdb1kij/pdb
PDB entry 1kij coloured by chain, front view.
PDB entry 1kij coloured by chain, side view.
PDB entry 1kij coloured by chain, top view.
Source organism: Thermus thermophilus
Primary publication:
An open conformation of the Thermus thermophilus gyrase B ATP-binding domain.
Lamour V, Hoermann L, Jeltsch JM, Oudet P, Moras D
J Biol Chem 277 18947-53 (2002)
PMID: 11850422

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 domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177920 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DNA gyrase subunit B Chains: A, B
Molecule details ›
Chains: A, B
Length: 390 amino acids
Theoretical weight: 42.72 KDa
Source organism: Thermus thermophilus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5SHZ4 (Residues: 1-390; Coverage: 62%)
Gene names: TTHA1586, gyrB
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NOV 2 x NOV
Ligand FMT 2 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P21
Unit cell:
a: 44.88Å b: 125.55Å c: 79.83Å
α: 90° β: 96.36° γ: 90°
R-values:
R R work R free
0.206 0.206 0.266
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Structure, molecular mechanisms, and evolutionary relationships in DNA topoisomerases.
Corbett et al. (2004)
7 more

14 mentions without citation

Discovery of novel DNA gyrase inhibitors by high-throughput virtual screening.
Ostrov et al. (2007)
13 more