› 9cbd

X-ray diffraction
2Å resolution

Pikromycin Thioesterase Domain

Released:
DOI: 10.2210/pdb9cbd/pdb
Model geometry
Fit model/data
PDB entry 9cbd coloured by chain, front view.
PDB entry 9cbd coloured by chain, side view.
PDB entry 9cbd coloured by chain, top view.
Source organism: Streptomyces venezuelae
Primary publication:
Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation.
McCullough TM, Choudhary V, Akey DL, Skiba MA, Bernard SM, Kittendorf JD, Schmidt JJ, Sherman DH, Smith JL
ACS Catal 14 12551-12563 (2024)
PMID: 39927088

Function and Biology Details

Reactions catalysed: 
Malonyl-CoA + 5 (2S)-methylmalonyl-CoA + 5 NADPH = 10-deoxymethynolide + 6 CoA + 6 CO(2) + 5 NADP(+) + 2 H(2)O
Malonyl-CoA + 6 (2S)-methylmalonyl-CoA + 5 NADPH = narbonolide + 7 CoA + 7 CO(2) + 5 NADP(+) + 2 H(2)O
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195647 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pikromycin polyketide synthase component PikAIV Chains: A, B
Molecule details ›
Chains: A, B
Length: 293 amino acids
Theoretical weight: 31.14 KDa
Source organism: Streptomyces venezuelae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9ZGI2 (Residues: 1057-1346; Coverage: 22%)
Gene name: pikAIV
Sequence domains: Thioesterase domain

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P212121
Unit cell:
a: 58.579Å b: 105.932Å c: 114.048Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.198 0.228
Expression system: Escherichia coli BL21(DE3)

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