1za0

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[[Image:1za0.gif|left|200px]]<br /><applet load="1za0" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1za0, resolution 2.00&Aring;" />
 
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'''X-ray structure of putative acyl-ACP desaturase DesA2 from Mycobacterium tuberculosis H37Rv'''<br />
 
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==Overview==
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==X-ray structure of putative acyl-ACP desaturase DesA2 from Mycobacterium tuberculosis H37Rv==
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Genome sequencing showed that two proteins in Mycobacterium tuberculosis H37Rv contain the metal binding motif (D/E)X(2)HX(approximately 100)(D/E)X(2)H characteristic of the soluble diiron enzyme superfamily. These putative acyl-ACP desaturase genes desA1 and desA2 were cloned from genomic DNA and expressed in Escherichia coli BL21(DE3). DesA1 was found to be insoluble, but in contrast, DesA2 was a soluble protein amenable to biophysical characterization. Here, we report the 2.0 A resolution X-ray structure of DesA2 determined by multiple anomalous dispersion (MAD) phasing from a Se-met derivative and refinement against diffraction data obtained on the native protein. The X-ray structure shows that DesA2 is a homodimeric protein with a four-helix bundle core flanked by five additional helices that overlay with 192 structurally equivalent amino acids in the structure of stearoyl-ACP Delta9 desaturase from castor plant with an rms difference 1.42 A. In the DesA2 crystals, one metal (likely Mn from the crystallization buffer) was bound in high occupancy at the B-site of the conserved metal binding motif, while the A-site was not occupied by a metal ion. Instead, the amino group of Lys-76 occupied this position. The relationships between DesA2 and known diiron enzymes are discussed.
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<StructureSection load='1za0' size='340' side='right'caption='[[1za0]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1za0]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZA0 FirstGlance]. <br>
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1ZA0 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis] with <scene name='pdbligand=MN:'>MN</scene> and <scene name='pdbligand=EDO:'>EDO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Acyl-[acyl-carrier-protein]_desaturase Acyl-[acyl-carrier-protein] desaturase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.19.2 1.14.19.2] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZA0 OCA].
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</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&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
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==Reference==
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1za0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1za0 OCA], [https://pdbe.org/1za0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1za0 RCSB], [https://www.ebi.ac.uk/pdbsum/1za0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1za0 ProSAT]</span></td></tr>
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X-ray structure of putative acyl-ACP desaturase DesA2 from Mycobacterium tuberculosis H37Rv., Dyer DH, Lyle KS, Rayment I, Fox BG, Protein Sci. 2005 Jun;14(6):1508-17. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15929999 15929999]
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</table>
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[[Category: Acyl-[acyl-carrier-protein] desaturase]]
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== Function ==
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[[Category: Mycobacterium tuberculosis]]
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[https://www.uniprot.org/uniprot/DESA2_MYCTU DESA2_MYCTU] May be a desaturase involved in mycobacterial fatty acid biosynthesis.<ref>PMID:14559907</ref>
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[[Category: Single protein]]
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== Evolutionary Conservation ==
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[[Category: Dyer, H D.]]
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[[Image:Consurf_key_small.gif|200px|right]]
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[[Category: Fox, B G.]]
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Check<jmol>
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[[Category: Lyle, K S.]]
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<jmolCheckbox>
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[[Category: Rayment, I.]]
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/za/1za0_consurf.spt"</scriptWhenChecked>
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[[Category: EDO]]
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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[[Category: MN]]
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<text>to colour the structure by Evolutionary Conservation</text>
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[[Category: desaturase]]
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</jmolCheckbox>
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[[Category: four-helix bundle]]
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</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=1za0 ConSurf].
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[[Category: metal binding protein.]]
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<div style="clear:both"></div>
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== References ==
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:13:33 2008''
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Mycobacterium tuberculosis H37Rv]]
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[[Category: Dyer HD]]
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[[Category: Fox BG]]
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[[Category: Lyle KS]]
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[[Category: Rayment I]]

Current revision

X-ray structure of putative acyl-ACP desaturase DesA2 from Mycobacterium tuberculosis H37Rv

PDB ID 1za0

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