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The Open Protein Structure Annotation Network
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3cmb

    Table of contents
    1. 1. Protein Summary
    2. 2. Ligand Summary
    3. 3. References

    Title Crystal structure of acetoacetate decarboxylase (YP_001047042.1) from Methanoculleus marisnigri JR1 at 1.60 A resolution. To be published
    Site JCSG
    PDB Id 3cmb Target Id 378367
    Molecular Characteristics
    Source Methanoculleus marisnigri jr1
    Alias Ids TPS1726,YP_001047042.1, PF06314, 91560 Molecular Weight 29462.15 Da.
    Residues 264 Isoelectric Point 5.14
    Sequence mfrpqddftylmpvhfgggkfdpetlvtqkatalslsfeterdllenyipegfellapevqvafnkfte inwlhggqynlinvaapvrfhgkkdeldgaytlvvwenktapilggreqtgipkiyadiedlhivrphf attvsyegntflnmdfeatgsitgrdldalksqfltmntlgwryipkvgapgaelsqfvlypqgmevet aevgkgslkwteltpmqspaqyyivnslaslpikrvtqavlvegrailramgarvie
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 4
    Resolution (Å) 1.60 Rfree 0.259
    Matthews' coefficent 2.89 Rfactor 0.228
    Waters 1360 Solvent Content 57.39

    Ligand Information
    Ligands
    Metals

    Jmol

     
    Google Scholar output for 3cmb
    1. Structural classification of proteins and structural genomics: new insights into protein folding and evolution
    A Andreeva, AG Murzin - Acta Crystallographica Section F: Structural , 2010 - scripts.iucr.org
     

    Protein Summary

    This protein (YP_001047042.1) is a member of PF06314: the Acetoacetate decarboxylase (ADC)family from the Pfam database, which overlaps with COG4689: Acetoacetate decarboxylase from the COG database.  Currently (March 13, 2008), the only close homolog to YP_001047042.1 is acetoacetate decarboxylase (ADC) (YP_094708.1) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 (PDB code: 3c8w) which also has its own TOPSAN page.

    Lys 123 is probably part of the active site.  It is conserved and aligns to lys 125 in 3c8w.

    Other acetoacetate decarboxylases (see reference #1 and the TOPSAN page for 3c8w) catalyze the decarboxylation of acetoacetate via a Schiff base intermediate.  However, no Schiff base intermediate has been observed in this structure.

    Ligand Summary

    PEG molecules and CL- anions are modeled in the structure.


    References

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