› 1jmk

X-ray diffraction
1.71Å resolution

Structural Basis for the Cyclization of the Lipopeptide Antibiotic Surfactin by the Thioesterase Domain SrfTE

Released:
DOI: 10.2210/pdb1jmk/pdb
PDB entry 1jmk coloured by chain, front view.
PDB entry 1jmk coloured by chain, side view.
PDB entry 1jmk coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Structural basis for the cyclization of the lipopeptide antibiotic surfactin by the thioesterase domain SrfTE.
Bruner SD, Weber T, Kohli RM, Schwarzer D, Marahiel MA, Walsh CT, Stubbs MT
Structure 10 301-10 (2002)
PMID: 12005429

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170692 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Surfactin synthase subunit 3 Chains: C, O
Molecule details ›
Chains: C, O
Length: 230 amino acids
Theoretical weight: 25.69 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q08787 (Residues: 1042-1271; Coverage: 18%)
Gene names: BSU03510, srfA3, srfAC
Sequence domains: Thioesterase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MPG/DESY, HAMBURG BEAMLINE BW6
Spacegroup: P212121
Unit cell:
a: 63.01Å b: 76.37Å c: 119.71Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.23 0.23 0.245
Expression system: Escherichia coli BL21(DE3)

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Citations

37 review citations

Biosynthesis of nonribosomal peptides1.
Finking et al. (2004)
36 more

17 mentions without citation

Thioesterases: a new perspective based on their primary and tertiary structures.
Cantu et al. (2010)
16 more