› 5l3j

X-ray diffraction
2.83Å resolution

ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR

Released:
DOI: 10.2210/pdb5l3j/pdb
PDB entry 5l3j coloured by chain, front view.
PDB entry 5l3j coloured by chain, side view.
PDB entry 5l3j coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors.
Gjorgjieva M, Tomašič T, Barančokova M, Katsamakas S, Ilaš J, Tammela P, Peterlin Mašič L, Kikelj D
J Med Chem 59 8941-8954 (2016)
PMID: 27541007

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-142496 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DNA gyrase subunit B Chain: A
Molecule details ›
Chain: A
Length: 378 amino acids
Theoretical weight: 41.75 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AES6 (Residues: 15-392; Coverage: 47%)
Gene names: JW5625, acrB, b3699, cou, gyrB, himB, hisU, nalC, parA, pcbA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 6G9 1 x 6G9
Ligand IOD 1 x IOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 116.286Å b: 49.585Å c: 70.212Å
α: 90° β: 93.48° γ: 90°
R-values:
R R work R free
0.26 0.258 0.288
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Thiazoles, Their Benzofused Systems, and Thiazolidinone Derivatives: Versatile and Promising Tools to Combat Antibiotic Resistance.
Cascioferro et al. (2020)
1 more

9 mentions without citation

Design, synthesis, DFT, docking studies and ADME prediction of some new coumarinyl linked pyrazolylthiazoles: Potential standalone or adjuvant antimicrobial agents.
Kumar et al. (2018)
8 more