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The Open Protein Structure Annotation Network
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2hti

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

    Title Crystal structure of BH0577 (10173191) from Bacillus halodurans at 2.50 A resolution. To be published
    Site JCSG
    PDB Id 2hti Target Id 359054
    Molecular Characteristics
    Source Bacillus halodurans c-125
    Alias Ids TPS1412,10173191, 60679947, 60683772, 2.30.110.10, 90141 Molecular Weight 20827.69 Da.
    Residues 184 Isoelectric Point 7.69
    Sequence mnairytkreckdekkiteflnkartgflglstndqpyviplnfvwhnhaiyfhgasegrkikmieanp evcfticedlgtivspvpahtdtaymsviifgtiepvsaieegteamqqmldkyvpgyyhsplaashve kyrsslgsrtaiykiscrertakvnepieslkfypgrnvsvdkdsr
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 1
    Resolution (Å) 2.50 Rfree 0.262
    Matthews' coefficent 3.43 Rfactor 0.208
    Waters 20 Solvent Content 63.88

    Ligand Information
    Ligands
    Metals

    Jmol

     
    Google Scholar output for 2hti
    1. The structure of a Xanthomonas general stress protein involved in citrus canker reveals its flavin-binding property
    E Hilario, Y Li, D Niks, L Fan - Acta Crystallographica Section D: , 2012 - scripts.iucr.org
     

    Protein Summary

    The BH0577 gene of B. halodurans encodes the NP_241443 protein with sequence similarity to the pyridoxine-5'-phosphate oxidase-like group (Pfam01243) and belongs to COG3467.

    The BH0577 gene has predicted functional associations (string.embl.de) with putative homoserine kinase type II (Q9K7G2, a member of COG2334) and predicted Zn-dependent hydrolases of the beta-lactamase fold (Q9Z9R4).

    Similar sequences to the NP_241443 were characterized in the following articles about nitroimidazole resistance proteins (PubMed: 16338949, 15728943, 15273153, 14500463, 10970359, 8067736, and 7773395).

    The 2hti structure has structural similarity to uncharacterized proteins with FMN-binding split barrel fold (SCOP sunid 50474). DALI search top hits: PDB:2hq9-A; DALI-Zscore 15.0; RMSD 2.4; 24% sequence identity within 117 superimposed residues; PDB:2fg9-A; DALI Z-score 13.6; RMSD 2.0; 29% sequence identity for 115 superimposed residues; and  PDB:2arz-A; DALI Z-score 13.6; RMSD 2.8; 10% sequence identity within 117 superimposed residues).

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

    Ligand Summary

    FAD-binding residues: Tyr38, Ile40, Pro41, Leu42, Asn43, His 54, Gly55, Gly59, Arg60, Lys61, and Leu144. Where Tyr38, Pro41, Lys61 are conserved. In a predicted dimer, there is a conserved Ser96 from the opposite chain that interacts with adenosine moiety of FAD.

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