Three-Dimensional Structures of Peptaibols 

Ampullosporin A

Sequence:

Ac TRP01 ALA02 AIB03 AIB04 LEU05 AIB06 GLN07 AIB08 AIB09 AIB10

GLN11 LEU12 AIB13 GLN14 LEU15 ol - - - -

Structural Information (X-ray structure): The asymmetric unit contains one ampullosporin molecule, one acetonitrile molcule and two water molecules (resolution: 0.77 Å).

  • CSD structure file in CIF format - includes two ampullosporin molecules, two acetonitriles and four water molecules The can be requested from the the Cambridge Structural Database by indicating the code 195231and the journal reference.
  • PDB file in PDB format generated by the authors - includes one ampullosporin and one water molecule. Contrary to the CIF file the PDB files includes amino acid assignments of atoms.
  • Structure images (The thumbnail image shows in addition to the ampullosporin structure an oxygen of one of the two water molecules).
    • ampullosporin A: sticks; water oxygen: spacefill (only one water molecule shown)
    • ampullosporin A: ribbon, AIB (sticks) highlighted
    • ampullosporin A: spacefill; water oxygen: wireframe surface (only one water molecule shown)
    • ampullosporin A: sticks tranparent surface; water oxygen: wireframe surface (only one water molecule shown)
    • elementary unit with two ampullosporin A molecules, 4 water molecules and two acetonitrile moelcules
  • Bending analysis

Reference:

Kronen M, Goerls H, Ngyuen HH, Reissmann S, Bohl M, Suehnel J, Graefe U.
J. Peptide Sci. 2003, 9, 729-744.
X-ray structure and conformational analysis of ampullosporin A

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