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The Open Protein Structure Annotation Network
PDB Keyword
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3bjr

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

    Title Crystal structure of putative carboxylesterase (NP_784706.1) from Lactobacillus plantarum at 2.09 A resolution. To be published
    Site JCSG
    PDB Id 3bjr Target Id
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    Molecular Characteristics
    Source
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    Alias Ids
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    TPS1742,NP_784706.1, 91568
    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 1
    Resolution (Å)
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    Rfree
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    Matthews' coefficent 4.03 Rfactor 0.175
    Waters
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    Solvent Content 69.47

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    Ligand Information
    Ligands
    Metals

    Jmol

     
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    Google Scholar output for 3bjr
    1. The crystal structure of an esterase from the hyperthermophilic microorganism Pyrobaculum calidifontis VA1 explains its enantioselectivity
    GJ Palm, E Fernndez-lvaro, X Bogdanovi_ - Applied microbiology , 2011 - Springer
     

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    Protein Summary

    Gene lp_1002 from Lactobacillus plantarum encodes the NP_784706 protein, a putative carboxylesterase that shares sequence similarity with the COG0657 Esterase/lipase (FFAS score:-57.000), and the Abhydrolase_3 Family from Pfam (PF07859) (FFAS score:-56.500).

    The 3bjr structure belongs to the alpha/beta class, alpha/beta hydrolases superfamily, Carboxylesterase family from SCOP . According to DALI, 3bjr is structurally similar to: the putative lipase/esterase

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    (Z=28), the sugar hydrolase
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    (Z=28), the carboxylesterase
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    (Z=24), the acetylesterase
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    (Z=22), and the serine hydrolase
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    (Z=22). Weaker hits are found with the Cholesterol Esterase (
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    ), a Carboxypeptidase Y Inhibitor (
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    ), Kex1(Delta)p, A Prohormone-Processing Carboxypeptidase (
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    ), a Hyper-Thermophilic Carboxylesterase (
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    , Brefeldin A Esterase, A Bacterial Homologue Of Human Hormone Sensitive Lipase (
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    ), and a acylaminoacyl peptidase (
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    and
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    ).

    A closer look at the serine hydrolase given by PDB code

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    ([Ref]) reveals that 3bjr is also a serine hydrolase. TopMatch structure superposition shows that the catalytic triad in 1jkm, Ser-202, Asp-308, His-338 is also present in 3bjr by the equivalent residues Ser-113, Asp-197 His-229. Structures with highest sequence similarity (
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    , 37%;
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    , 34%; 
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    , 24%) all exhibit a catalytic serine hydrolase triad. Interestingly, JCSG determined structure
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    (see Topsan), (34% sequence identity over 198 equivalent residues) lacks the catalytic histidine which is not even present in an equivalent position (superposition perfermed by TopMatch). We note that NESG structure
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    does not have electron density for residues 231-255. Residue His-233 is the third catalytic residue, however it is not present in the structure.

    Ligand Summary



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