The Open Protein Structure Annotation Network
PDB Keyword


    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, 60683772,, 60679947, 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


    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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