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[[Image:2gjn.gif|left|200px]]<br /><applet load="2gjn" size="350" color="white" frame="true" align="right" spinBox="true"
caption="2gjn, resolution 2.300&Aring;" />
'''crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate'''<br />


==Overview==
==crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate==
Nitroalkane compounds are widely used in chemical industry and are also produced by microorganisms and plants. Some nitroalkanes have been demonstrated to be carcinogenic, and enzymatic oxidation of nitroalkanes is of considerable interest. 2-Nitropropane dioxygenases from Neurospora crassa and Williopsis mrakii (Hansenula mrakii), members of one family of the nitroalkane-oxidizing enzymes, contain FMN and FAD, respectively. The enzymatic oxidation of nitroalkanes by 2-nitropropane dioxygenase operates by an oxidase-style catalytic mechanism, which was recently shown to involve the formation of an anionic flavin semiquinone. This represents a unique case in which an anionic flavin semiquinone has been experimentally observed in the catalytic pathway for oxidation catalyzed by a flavin-dependent enzyme. Here we report the first crystal structure of 2-nitropropane dioxygenase from Pseudomonas aeruginosa in two forms: a binary complex with FMN and a ternary complex with both FMN and 2-nitropropane. The structure identifies His(152) as the proposed catalytic base, thus providing a structural framework for a better understanding of the catalytic mechanism.
<StructureSection load='2gjn' size='340' side='right'caption='[[2gjn]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[2gjn]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GJN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2GJN FirstGlance]. <br>
2GJN is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa] with <scene name='pdbligand=FMN:'>FMN</scene> and <scene name='pdbligand=NIS:'>NIS</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/2-nitropropane_dioxygenase 2-nitropropane dioxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.11.32 1.13.11.32] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GJN OCA].
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
 
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=NIS:2-NITROPROPANE'>NIS</scene></td></tr>
==Reference==
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2gjn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gjn OCA], [https://pdbe.org/2gjn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2gjn RCSB], [https://www.ebi.ac.uk/pdbsum/2gjn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2gjn ProSAT]</span></td></tr>
Crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate. Identification of the catalytic base., Ha JY, Min JY, Lee SK, Kim HS, Kim do J, Kim KH, Lee HH, Kim HK, Yoon HJ, Suh SW, J Biol Chem. 2006 Jul 7;281(27):18660-7. Epub 2006 May 8. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16682407 16682407]
</table>
[[Category: 2-nitropropane dioxygenase]]
== Function ==
[[Category: Pseudomonas aeruginosa]]
[https://www.uniprot.org/uniprot/NQRED_PSEAE NQRED_PSEAE] Catalyzes the NADH-dependent reduction of a broad spectrum of quinone substrates, generating the corresponding hydroquinones. Highly prefers NADH to NADPH as a reducing substrate. Also displays a small NADH oxidase activity. Does not exhibit nitronate monooxygenase activity; is inactive against propionate 3-nitronate, 3-nitropropionate, nitroethane, 1-nitropropane, 2-nitropropane, and the anionic forms ethylnitronate, propyl-1-nitronate, and propyl-2-nitronate. Has no azoreductase activity since it is not able to reduce the azo dye methyl red with NADH. May be required to maintain an appropriate [NAD(+)]/[NADH] ratio for the catabolism of fatty acids in P.aeruginosa PAO1.<ref>PMID:27502282</ref>
[[Category: Single protein]]
== Evolutionary Conservation ==
[[Category: Suh, S W.]]
[[Image:Consurf_key_small.gif|200px|right]]
[[Category: FMN]]
Check<jmol>
[[Category: NIS]]
  <jmolCheckbox>
[[Category: 2-nitropropane]]
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gj/2gjn_consurf.spt"</scriptWhenChecked>
[[Category: fmn]]
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
[[Category: substrate]]
    <text>to colour the structure by Evolutionary Conservation</text>
 
  </jmolCheckbox>
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:32:22 2008''
</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=2gjn ConSurf].
<div style="clear:both"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa PAO1]]
[[Category: Suh SW]]

Latest revision as of 13:51, 13 March 2024

crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate

2gjn, resolution 2.30Å

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