The Open Protein Structure Annotation Network
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    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 379491
    Molecular Characteristics
    Source Lactobacillus plantarum wcfs1
    Alias Ids TPS1742,NP_784706.1, 91568 Molecular Weight 28735.09 Da.
    Residues 264 Isoelectric Point 5.72
    Sequence mqvikqkltatcaqltgylhqpdtnahqtnlpaiiivpggsythipvaqaeslamafaghgyqafyley tlltdqqplglapvldlgravnllrqhaaewhidpqqitpagfsvgghivalyndywatrvatelnvtp amlkpnnvvlgypvispllgfpkddatlatwtptpnelaadqhvnsdnqptfiwttaddpivpatntla yatalatakipyelhvfkhgphglalanaqtawkpdanqphvahwltlalewladnr
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 1
    Resolution (Å) 2.09 Rfree 0.192
    Matthews' coefficent 4.03 Rfactor 0.175
    Waters 143 Solvent Content 69.47

    Ligand Information


    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

    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 PDB:3bxp (Z=28), the sugar hydrolase PDB:3hxk (Z=28), the carboxylesterase PDB:2c7b (Z=24), the acetylesterase PDB:3ga7 (Z=22), and the serine hydrolase PDB:1evq (Z=22). Weaker hits are found with the Cholesterol Esterase (PDB:1llf), a Carboxypeptidase Y Inhibitor (PDB:1wpx), Kex1(Delta)p, A Prohormone-Processing Carboxypeptidase (PDB:1ac5), a Hyper-Thermophilic Carboxylesterase (PDB:1jji, Brefeldin A Esterase, A Bacterial Homologue Of Human Hormone Sensitive Lipase (PDB:1jkm), and a acylaminoacyl peptidase (PDB:2hu5 and PDB:2hu7).

    A closer look at the serine hydrolase given by PDB code PDB:1jkm ([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 (PDB:3hxk, 37%; PDB:3d3n, 34%;  PDB:2hm7, 24%) all exhibit a catalytic serine hydrolase triad. Interestingly, JCSG determined structure PDB:3bxp (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 PDB:3d3n 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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