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PDB Keyword
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3qov

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

    Title Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution. To be published
    Site JCSG
    PDB Id 3qov Target Id
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    Related PDB Ids 3s89 
    Molecular Characteristics
    Source
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    Alias Ids
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    TPS25961,NP_809341.1, 452673
    Molecular Weight
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    Da.
    Residues
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    Isoelectric Point
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    Sequence
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      BLAST   FFAS

    Structure Determination
    Method XRAY
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    Chains 4
    Resolution (Å)
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    Rfree
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    Matthews' coefficent 2.42 Rfactor 0.1836
    Waters
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    Solvent Content 49.16

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    Ligand Information
    Ligands
    Metals

    Jmol

     
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    Google Scholar output for 3qov

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    Protein Summary

    This is PaaK, a critical part of the phenylacetyl-CoA catabolon. The structure 1 (soaked with AMP+COA) is interesting in the following aspects:

    1. Zinc binding site

    2. two different conformations with large domain movements (A/C, and B/D) in crystal lattice, tertrameric, allosteric?

    3. 3 different ligand  state: A: ADP+CoA, C: CoA; B and D: ADP

     

    From PFAM perspective:

    This is a member of our AMP-binding enzyme family, which is part of clan CL0378. Residue 330 is predicted to be catalytic. There are already many structures already known for this family, so not too exciting for us.

     

    Fig 1. Structure 1

    ge2184a.png

    Ligand Summary

    Reviews

    References

     

    No references found.

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    Files (1)

    FileSizeDateAttached by 
     ge2184a.png
    ge2184a crystal form 1
    206.24 kB15:46, 5 Aug 2010qxuActions
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