1kez

X-ray diffraction
2.8Å resolution

Crystal Structure of the Macrocycle-forming Thioesterase Domain of Erythromycin Polyketide Synthase (DEBS TE)

Released:

Function and Biology Details

Reaction catalysed:
Propanoyl-CoA + 6 (2S)-methylmalonyl-CoA + 6 NADPH = 6-deoxyerythronolide B + 7 CoA + 6 CO(2) + H(2)O + 6 NADP(+)
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
PDBe Complex ID:
PDB-CPX-169844 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
6-deoxyerythronolide-B synthase EryA3, modules 5 and 6 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 300 amino acids
Theoretical weight: 32.11 KDa
Source organism: Saccharopolyspora erythraea
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q03133 (Residues: 2893-3172; Coverage: 9%)
Gene name: eryA
Sequence domains: Thioesterase domain
Structure domains: alpha/beta hydrolase

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P3121
Unit cell:
a: 130.5Å b: 130.5Å c: 208.5Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.256 0.254 0.279
Expression system: Escherichia coli BL21