› 6e6t

X-ray diffraction
1.6Å resolution

Dieckmann cyclase, NcmC, bound to cerulenin

Released:
DOI: 10.2210/pdb6e6t/pdb
PDB entry 6e6t coloured by chain, front view.
PDB entry 6e6t coloured by chain, side view.
PDB entry 6e6t coloured by chain, top view.
Source organism: Saccharothrix syringae
Primary publication:
Structural Basis for Enzymatic Off-Loading of Hybrid Polyketides by Dieckmann Condensation.
Cogan DP, Ly J, Nair SK
ACS Chem Biol 15 2783-2791 (2020)
PMID: 33017142

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-103878 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioesterase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 275 amino acids
Theoretical weight: 28.81 KDa
Source organism: Saccharothrix syringae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A1X9WEN9 (Residues: 1-272; Coverage: 100%)

Ligands and Environments

2 bound ligands:
Ligand SO4 2 x SO4
Ligand HVV 2 x HVV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P41
Unit cell:
a: 80.269Å b: 80.269Å c: 77.743Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.188 0.218
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

Biosynthetic Cyclization Catalysts for the Assembly of Peptide and Polyketide Natural Products.
Adrover-Castellano et al. (2021)
1 more