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2oaf

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

    Title Crystal structure of thioesterase superfamily (YP_508616.1) from Jannaschia sp. CCS1 at 2.00 A resolution. To be published
    Site JCSG
    PDB Id 2oaf Target Id 370470
    Molecular Characteristics
    Source Jannaschia sp. ccs1
    Alias Ids TPS1566,JANN_22DEC04_CONTIG27_REVISED_GENE3582, 103296 Molecular Weight 16841.37 Da.
    Residues 150 Isoelectric Point 6.42
    Sequence mqgagrlmqprpdsafvhdvrvtwgdcdpakiaytghlprfaleaidawwseyhgpggwyhleldtnvg tpfvrlemdfkspvtprhilkchtwptrlgtksitfrvdgvqdgvtcfvgaftcvftiadqfksqpapd hlraliephipa
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 2
    Resolution (Å) 2.00 Rfree 0.193
    Matthews' coefficent 2.57 Rfactor 0.167
    Waters 208 Solvent Content 52.17

    Ligand Information
    Ligands
    Metals

    Jmol

     
    Google Scholar output for 2oaf
    1. Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX AutoSol wizard
    TC Terwilliger, PD Adams, RJ Read - Section D: Biological , 2009 - scripts.iucr.org
     
    2. Analysis of proteins with the'hot dog'fold: Prediction of function and identification of catalytic residues of hypothetical proteins
    LS Pidugu, K Maity, K Ramaswamy - BMC structural , 2009 - biomedcentral.com
     
    3. Function-Biased Choice of Additives for Optimization of Protein Crystallization: The Case of the Putative Thioesterase PA5185 from Pseudomonas aeruginosa PAO1
    M Chruszcz, MD Zimmerman, S Wang - Crystal Growth and , 2008 - ACS Publications
     
    4. Structure of the putative thioesterase protein TTHA1846 from Thermus thermophilus HB8 complexed with coenzyme A and a zinc ion
    T Hosaka, K Murayama, M Kato-Murayama - Section D: Biological , 2009 - scripts.iucr.org
     
    5. Evolution of structure and function among hotdog-fold thioesterases and HAD family phosphatases
    W Min - 2012 - repository.unm.edu
     

    Protein Summary

    The Jann_0674 gene from Jannaschia sp. ccs1 encodes a member of the thioesterase superfamily (PF03061, COG0824) that adopts a thioesterase/thiol ester dehydrase-isomerase fold. Remote homology and structural similarity both suggest the protein might function as an acyl-ACP thioesterase (HHPred P-value 1.2E-21 with PF01643 over residues 13-149; DALI Z-score 11.5, rmsd 1.9 Å over 102 residues, identity 16% with PDB id 2GVH).

     

    To do: identify acyl-CoA binding site, pathway

     

    Has some sequence similarity to acyl-ACP thioesterase (Pfam01643).

    Ligand Summary



    References

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