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 hypothetical protein (NP_895880.1) from Prochlorococcus marinus MIT9313 at 1.50 A resolution. To be Published
    Site JCSG
    PDB Id 2hx5 Target Id 366978
    Molecular Characteristics
    Source Prochlorococcus marinus str. mit 9313
    Alias Ids TPS1493,NP_895880.1, 90887 Molecular Weight 17302.76 Da.
    Residues 151 Isoelectric Point 6.12
    Sequence mnpenwlllrrvvrfgdtdaagvmhfhqlfrwchesweeslesyglnpadifpgsrksevtpevalpii hcqadfrrpihtgdalamelrperlnpnsfqvhfefrceeqiaahalirhlainaqtrhrcalpegidr wleasgvgkigsi
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 1
    Resolution (Å) 1.50 Rfree 0.182
    Matthews' coefficent 2.44 Rfactor 0.155
    Waters 142 Solvent Content 49.19

    Ligand Information


    Google Scholar output for 2hx5
    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. Domain definition and target classification for CASP7
    ND Clarke, I Ezkurdia, J Kopp, RJ Read - Proteins: Structure, , 2007 - Wiley Online Library
    3. Estimating quality of template_based protein models by alignment stability
    H Chen, D Kihara - Proteins: Structure, Function, and , 2008 - Wiley Online Library
    4. Thioesterases: A new perspective based on their primary and tertiary structures
    DC Cantu, Y Chen, PJ Reilly - Protein Science, 2010 - Wiley Online Library
    5. 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
    6. 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
    7. Reconstruction of Protein Backbone with the alpha-Carbon Coordinates
    JH Wang, CB Yang, CT Tseng - Journal of Information Science , 2010 - etd.lib.nsysu.edu.tw
    8. Phylloquinone (Vitamin K1) Biosynthesis in Plants: Two Peroxisomal Thioesterases of Lactobacillales Origin Hydrolyze 1, 4_Dihydroxy_2_Naphthoyl_Coa
    JR Widhalm, AL Ducluzeau, NE Buller - The Plant , 2012 - Wiley Online Library
    9. Reconstruction of Protein Backbone with the a-Carbon Coordinates
    JH Wang, CB Yang, CT Tseng - 2007 - asiair.asia.edu.tw
    10. Refinement of All-atom Backbone Prediction of Proteins
    HY Chang - 2008 - etd.lib.nsysu.edu.tw

    Protein Summary

    The gene PMT_2055 from P. marinus MIT9313 codes for the NP_895880 protein that it is similar to Acyl-ACP thioesterases (cd00586) and members of the thioesterases superfamily (PF03061).

    SCOP classifies 2hx5 in the alpha+beta class, thioesterase superfamily, 4-hydroxybenzoate thioesterase (4HBT) family. DALI top hits are with AQ_1494 protein PDB:2egr (Z=17), and putative thioesterases PDB:3ck1 (Z=16), PDB:1z54 (Z=16) and PDB:2av9 (Z=16). 2hx5 structure is similar to the 4-hydroxybenzoyl-CoA thioesterase (PDB structure PDB:1bvq; DALI Z-score 13.8; RMSD 2.4; 20% sequence identity within 126 superimposed residues).

    Analysis of the crystallographic packing of 2hx5 using the PQS server {Henrick, 1998 #73} indicates that a tetramer is the likely biologically relevant form.

    Ligand Summary

    The unknown density near Glu104 was left unmodeled. It is located near the active site of the protein and it could be fragment of CoA.





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