The Open Protein Structure Annotation Network
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    Table of contents
    1. 1. Protein Summary
    2. 2. Ligand Summary

    Title Crystal structure of Putative antibiotic biosynthesis monooxygenase (NP_888398.1) from BORDETELLA BRONCHISEPTICA at 2.15 A resolution. To be published
    Site JCSG
    PDB Id 3gz7 Target Id 390479
    Molecular Characteristics
    Source Bordetella bronchiseptica rb50
    Alias Ids TPS20148,NP_888398.1,, 85589 Molecular Weight 11025.01 Da.
    Residues 96 Isoelectric Point 5.66
    Sequence miqeiasilvqpgreadfeagvaqarplfmrargchgvalhrsieapqrytlvvdwetvdnhmvdfrqs adfqewrklvgecfaeppqvhheqkvl
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 2
    Resolution (Å) 2.15 Rfree 0.236
    Matthews' coefficent 2.15 Rfactor 0.174
    Waters 145 Solvent Content 42.90

    Ligand Information


    Google Scholar output for 3gz7

    Protein Summary

     Pfam update:This protein is now in family PF03992.9 ABM, CL0032, and there are other structures.

    This protein is annotated as a hypothetical protein BB1853 [Bordetella bronchisept
    ica RB50] in PSCA. It belongs Pfam; PF03992; Antibiotic Biosynthesis Monooxygenase (ABM) family.

    It is present as a dimer in the crystal structure and crystal packing analysis suggests that this dimer should be the stable oligomeric  form in solution.



        Fig 1. Dimer of 390479 in asu.


    The 390479 is structurally similar to 1lq9 ( Dali Z=12.2, 2.5A rmsd, 12 %id). The comparison of the active site of 390479 (green) with 1lq9 (light blue) shows a match on Trp 56 (Trp 66) residue. The details are shown below.   


    FIg2_MG7794B (1).png

      Fig 2. From left top Leu52 (Asn 62), Leu 40- green (Tyr 51- light blue).

                From left bottom His 62 (Tyr 72 -dual conf.) and Typ 56 (Trp 66) of 390479 - green (1lq9- light blue).

                (Citrate ligand is not shown in this Fig.)





     Fig. 3. The same view as Fig 2 with a citrate molecule in the active site.

               A citrate molecule (CIT- pink, ball-and-stick model) is modeled in the active site of both A and

               B molecules of 390479 (green).


    Ligand Summary


    Citrate (CIT) molecules were modeled based on crystallization conditions.




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