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

    Title Crystal structure of OsmC-like hydroperoxide resistance protein (YP_509982.1) from Jannaschia sp. CCS1 at 1.70 A resolution. To be published
    Site JCSG
    PDB Id 3cje Target Id 371655
    Molecular Characteristics
    Source Jannaschia sp. ccs1
    Alias Ids TPS1587,YP_509982.1, 91102 Molecular Weight 18100.89 Da.
    Residues 166 Isoelectric Point 5.20
    Sequence maltpdqmpdraevvftcngkavgkmrneldvamvkpfeerfalatdegafhggdasappplalfiagl tgcvmtqirafakrlkvtvtdldvecrvvwdwakagpvyetgpksfeidiilhspdpieaqqalieaak kgcfleqtlgqantirhrlkvgdtfida
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 1
    Resolution (Å) 1.70 Rfree 0.164
    Matthews' coefficent 3.71 Rfactor 0.144
    Waters 140 Solvent Content 66.87

    Ligand Information


    Google Scholar output for 3cje

    Protein Summary

    The Jann_2040 gene from Jannaschia sp. CCS1 encodes for the YP_509982 protein that belongs to the osmotically inducible C (OsmC) group (PF02566, cl00767). Its genome context indicates a possible funtional link (score 0.87) with neighboring genes Jann_2039, a fumarylacetoacetate hydrolase, Jann_2038, a putative cyclase, and Jann_2037, a TRAP dicarboxylate transporter.

    SCOP classifies 3cje in the alpha+beta class, OsmC-like superfamily, YhfA-like family. DALI top hit is with 1lql (Z=10). There are several Pfam homologs of this structure in PDB: 1lql (Z=10), 1usp (Z=7), 2onf (Z=8), 2pn2 (Z=7), 2opl (Z=9), 2ql8 (Z=7), and 1vla (Z=7). 3cje asymmetric unit holds a single chain; however the likely functional form is a dimer, according to PISA.

    According to [Ref], an article describing the structure of a hydroperoxide resistance protein (PDB accession code 1usp), the active site residues consist of two close cysteines, Cys-57 and Cys-121 in PDB entry 1usp, which are conserved in the structure of 3cje and aligned to Cys-72 and Cys-141. This and the Pfam membership underline the functional prediction.

    Ligand Summary

    Tris (TRS) ion and Phosphate (PO4) ion from crystallization condition and glycerol
    (GOL) from cryo condition were modelled.





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