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    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 396691
    Related PDB Ids 3s89 
    Molecular Characteristics
    Source Bacteroides thetaiotaomicron vpi-5482
    Alias Ids TPS25961,NP_809341.1, 452673 Molecular Weight 49377.07 Da.
    Residues 435 Isoelectric Point 5.94
    Sequence mstqyweeeieimsreklqelqlqrlkktiniaanspyykevfskngitgdsiqslddirkipfttksd mranypfglvagdmkrdgvrihsssgttgnptvivhsqhdldswanlvarclymvgirktdvfqnssgy gmftgglgfqygaerlgcltvpaaagnskrqikfisdfkttalhaipsyairlaevfqeegidprettl ktlvigaephtdeqrrkiermlnvkaynsfgmtemngpgvafecqeqngmhfwedcylveiidpetgep vpegeigelvlttldremmpliryrtrdltrilpgkcpcgrthlridrikgrsddmfiikgvnifpmqv ekilvqfpelgsnylitletvnnqdemivevelsdlstdnyielekirrdiirqlkdeilvtpkvklvk kgslpqsegkavrvkdlrdnk
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 4
    Resolution (Å) 2.20 Rfree 0.2185
    Matthews' coefficent 2.42 Rfactor 0.1836
    Waters 559 Solvent Content 49.16

    Ligand Information


    Google Scholar output for 3qov

    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


    Ligand Summary




    No references found.

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    ge2184a crystal form 1
    206.24 kB15:46, 5 Aug 2010qxuActions
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