› 5ugz

X-ray diffraction
1.98Å resolution

Crystal structure of ClbQ from the colibactin NRPS/PKS pathway

Released:
DOI: 10.2210/pdb5ugz/pdb
PDB entry 5ugz coloured by chain, front view.
PDB entry 5ugz coloured by chain, side view.
PDB entry 5ugz coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Structure and Functional Analysis of ClbQ, an Unusual Intermediate-Releasing Thioesterase from the Colibactin Biosynthetic Pathway.
Guntaka NS, Healy AR, Crawford JM, Herzon SB, Bruner SD
ACS Chem Biol 12 2598-2608 (2017)
PMID: 28846367

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170998 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioesterase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 260 amino acids
Theoretical weight: 29.54 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q0P7K7 (Residues: 1-240; Coverage: 100%)
Gene names: D3C88_24735, EPS76_05770, EWK56_23760, FPI65_12325, IFB95_001924, NCTC9075_02751, clbQ, lgrE
Sequence domains: Thioesterase domain

Ligands and Environments

1 bound ligand:
Ligand BME 2 x BME
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 44.971Å b: 94.994Å c: 68.444Å
α: 90° β: 109.18° γ: 90°
R-values:
R R work R free
0.155 0.151 0.208
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Colibactin: More Than a New Bacterial Toxin.
Faïs et al. (2018)
4 more

2 mentions without citation

Structure and Functional Analysis of ClbQ, an Unusual Intermediate-Releasing Thioesterase from the Colibactin Biosynthetic Pathway.
Guntaka et al. (2017)
1 more