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 an acyl-ACP thioesterase (NP_810988.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.90 A resolution. To be published
    Site JCSG
    PDB Id 2ess Target Id 359110
    Molecular Characteristics
    Source Bacteroides thetaiotaomicron vpi-5482
    Alias Ids TPS1417,BT2075, PF01643, 87279 Molecular Weight 28404.74 Da.
    Residues 247 Isoelectric Point 5.24
    Sequence mseenkigtyqfvaepfhvdfngrltmgvlgnhllncagfhasdrgfgiatlnednytwvlsrlaield empyqyekfsvqtwvenvyrlftdrnfavidkdgkkigyarsvwaminlntrkpadllalhggsivdyi cdepcpiekpsrikvtsnqpvatltakysdidinghvnsiryiehildlfpielyqtkrirrfemayva esyfgdelsffcdevsenefhvevkkngsevvcrskvife
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 1
    Resolution (Å) 1.90 Rfree 0.206
    Matthews' coefficent 2.54 Rfactor 0.166
    Waters 159 Solvent Content 51.16

    Ligand Information


    Google Scholar output for 2ess
    1. Crystal structure of human thioesterase superfamily member 2
    Z Cheng, F Song, X Shan, Z Wei, Y Wang - Biochemical and , 2006 - Elsevier
    2. Thioesterases: A new perspective based on their primary and tertiary structures
    DC Cantu, Y Chen, PJ Reilly - Protein Science, 2010 - Wiley Online Library
    3. 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
    4. Phylogenetic and experimental characterization of an acyl-ACP thioesterase family reveals significant diversity in enzymatic specificity and activity
    F Jing, DC Cantu, J Tvaruzkova, JP Chipman - BMC , 2011 - biomedcentral.com

    Protein Summary

    NP_810988 sequence belongs to the Acyl-acyl carrier protein thioesterase group (PF01643). The structure of Bacteroides thetaiotaomicron descr protein NP_810988.1 consists of two repeats of the alpha + beta fold of Thioesterase/thiol ester dehydrase-isomerases. Each repeat has a two layered beta-alpha-beta(4) structure.

    Inside SCOP, 2ess classifies in the alpha+beta class, Thioesterase/thiol ester dehydrase isomerase superfamily, Acyl-ACP thioesterase-like  family. It is strongly similar (2.2 A RMSD over 130 aa without gaps) to other structures from this fold (for instance hypothetical protein 1s5u ) despite very low sequence similarity (~9% seq. id).

    Ligand Summary





    No references found.

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