1utb: Difference between revisions

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[[Image:1utb.gif|left|200px]]<br /><applet load="1utb" size="350" color="white" frame="true" align="right" spinBox="true"
caption="1utb, resolution 2.59&Aring;" />
'''DNTR FROM BURKHOLDERIA SP. STRAIN DNT'''<br />


==Overview==
==DntR from Burkholderia sp. strain DNT==
The transcriptional regulator DntR, a member of the LysR family, is a, central element in a prototype bacterial cell-based biosensor for the, detection of hazardous contamination of soil and groundwater by, dinitrotoluenes. To optimise the sensitivity of the biosensor for such, compounds we have chosen a rational design of the inducer-binding cavity, based on knowledge of the three-dimensional structure of DntR. We report, two crystal structures of DntR with acetate (resolution 2.6 angstroms) and, thiocyanate (resolution 2.3 angstroms), respectively, occupying the, inducer-binding cavity. These structures allow for the construction of, models of DntR in complex with salicylate (Kd approximately or = 4 microM), and 2,4-dinitrotoluene that provide a basis for the design of mutant DntR, with enhanced specificity for dinitrotoluenes. In both crystal structures, DntR crystallises as a homodimer with a "head-to-tail" arrangement of, monomers in the asymmetric unit. Analysis of the crystal structure has, allowed the building of a full-length model of DntR in its biologically, active homotetrameric form consisting of two "head-to-head" dimers. The, implications of this model for the mechanism of transcription regulation, by LysR proteins are discussed.
<StructureSection load='1utb' size='340' side='right'caption='[[1utb]], [[Resolution|resolution]] 2.59&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1utb]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Burkholderia_sp._DNT Burkholderia sp. DNT]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UTB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1UTB FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.59&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1utb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1utb OCA], [https://pdbe.org/1utb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1utb RCSB], [https://www.ebi.ac.uk/pdbsum/1utb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1utb ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q7WT50_9BURK Q7WT50_9BURK]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ut/1utb_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1utb ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The transcriptional regulator DntR, a member of the LysR family, is a central element in a prototype bacterial cell-based biosensor for the detection of hazardous contamination of soil and groundwater by dinitrotoluenes. To optimise the sensitivity of the biosensor for such compounds we have chosen a rational design of the inducer-binding cavity based on knowledge of the three-dimensional structure of DntR. We report two crystal structures of DntR with acetate (resolution 2.6 angstroms) and thiocyanate (resolution 2.3 angstroms), respectively, occupying the inducer-binding cavity. These structures allow for the construction of models of DntR in complex with salicylate (Kd approximately or = 4 microM) and 2,4-dinitrotoluene that provide a basis for the design of mutant DntR with enhanced specificity for dinitrotoluenes. In both crystal structures DntR crystallises as a homodimer with a "head-to-tail" arrangement of monomers in the asymmetric unit. Analysis of the crystal structure has allowed the building of a full-length model of DntR in its biologically active homotetrameric form consisting of two "head-to-head" dimers. The implications of this model for the mechanism of transcription regulation by LysR proteins are discussed.


==About this Structure==
Development of a bacterial biosensor for nitrotoluenes: the crystal structure of the transcriptional regulator DntR.,Smirnova IA, Dian C, Leonard GA, McSweeney S, Birse D, Brzezinski P J Mol Biol. 2004 Jul 9;340(3):405-18. PMID:15210343<ref>PMID:15210343</ref>
1UTB is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Burkholderia_sp. Burkholderia sp.] with <scene name='pdbligand=ACT:'>ACT</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Site: <scene name='pdbsite=AC1:Act+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UTB OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Development of a bacterial biosensor for nitrotoluenes: the crystal structure of the transcriptional regulator DntR., Smirnova IA, Dian C, Leonard GA, McSweeney S, Birse D, Brzezinski P, J Mol Biol. 2004 Jul 9;340(3):405-18. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15210343 15210343]
</div>
[[Category: Burkholderia sp.]]
<div class="pdbe-citations 1utb" style="background-color:#fffaf0;"></div>
[[Category: Protein complex]]
== References ==
[[Category: Birse, D.]]
<references/>
[[Category: Brzezinski, P.]]
__TOC__
[[Category: Dian, C.]]
</StructureSection>
[[Category: Leonard, G.A.]]
[[Category: Burkholderia sp. DNT]]
[[Category: Mcsweeney, S.]]
[[Category: Large Structures]]
[[Category: Smirnova, I.A.]]
[[Category: Birse D]]
[[Category: ACT]]
[[Category: Brzezinski P]]
[[Category: GOL]]
[[Category: Dian C]]
[[Category: lysr]]
[[Category: Leonard GA]]
[[Category: transcriptional regulator]]
[[Category: McSweeney S]]
 
[[Category: Smirnova IA]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb  3 10:04:41 2008''

Latest revision as of 12:05, 9 May 2024

DntR from Burkholderia sp. strain DNTDntR from Burkholderia sp. strain DNT

Structural highlights

1utb is a 2 chain structure with sequence from Burkholderia sp. DNT. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.59Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q7WT50_9BURK

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

The transcriptional regulator DntR, a member of the LysR family, is a central element in a prototype bacterial cell-based biosensor for the detection of hazardous contamination of soil and groundwater by dinitrotoluenes. To optimise the sensitivity of the biosensor for such compounds we have chosen a rational design of the inducer-binding cavity based on knowledge of the three-dimensional structure of DntR. We report two crystal structures of DntR with acetate (resolution 2.6 angstroms) and thiocyanate (resolution 2.3 angstroms), respectively, occupying the inducer-binding cavity. These structures allow for the construction of models of DntR in complex with salicylate (Kd approximately or = 4 microM) and 2,4-dinitrotoluene that provide a basis for the design of mutant DntR with enhanced specificity for dinitrotoluenes. In both crystal structures DntR crystallises as a homodimer with a "head-to-tail" arrangement of monomers in the asymmetric unit. Analysis of the crystal structure has allowed the building of a full-length model of DntR in its biologically active homotetrameric form consisting of two "head-to-head" dimers. The implications of this model for the mechanism of transcription regulation by LysR proteins are discussed.

Development of a bacterial biosensor for nitrotoluenes: the crystal structure of the transcriptional regulator DntR.,Smirnova IA, Dian C, Leonard GA, McSweeney S, Birse D, Brzezinski P J Mol Biol. 2004 Jul 9;340(3):405-18. PMID:15210343[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. Smirnova IA, Dian C, Leonard GA, McSweeney S, Birse D, Brzezinski P. Development of a bacterial biosensor for nitrotoluenes: the crystal structure of the transcriptional regulator DntR. J Mol Biol. 2004 Jul 9;340(3):405-18. PMID:15210343 doi:http://dx.doi.org/10.1016/j.jmb.2004.04.071

1utb, resolution 2.59Å

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