1zj9

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(New page: 200px<br /><applet load="1zj9" size="450" color="white" frame="true" align="right" spinBox="true" caption="1zj9, resolution 2.90&Aring;" /> '''Structure of Mycobac...)
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[[Image:1zj9.gif|left|200px]]<br /><applet load="1zj9" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1zj9, resolution 2.90&Aring;" />
 
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'''Structure of Mycobacterium tuberculosis NirA protein'''<br />
 
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==Overview==
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==Structure of Mycobacterium tuberculosis NirA protein==
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The nirA gene of Mycobacterium tuberculosis is up-regulated in the, persistent state of the bacteria, suggesting that it is a potential target, for the development of antituberculosis agents particularly active against, the pathogen in its dormant phase. This gene encodes a, ferredoxin-dependent sulfite reductase, and the structure of the enzyme, has been determined using x-ray crystallography. The enzyme is a monomer, comprising 555 amino acids and contains a [Fe4-S4] cluster and a siroheme, cofactor. The molecule is built up of three domains with an alpha/beta, fold. The first domain consists of two ferredoxin-like subdomains, related, by a pseudo-2-fold symmetry axis passing through the whole molecule. The, other two domains, which provide much of the binding interactions with the, cofactors, have a common fold that is unique to the sulfite/nitrite, reductase family. The domains form a trilobal structure, with the, cofactors and the active site located at the interface of all three, domains in the center of the molecule. NirA contains an unusual covalent, bond between the side chains of Tyr69 and Cys161 in the active site, in, close proximity to the siroheme cofactor. Removal of this covalent bond by, site-directed mutagenesis impairs catalytic activity, suggesting that it, is important for the enzymatic reaction. These residues are part of a, sequence fingerprint, able to distinguish between ferredoxin-dependent, sulfite and nitrite reductases. Comparison of NirA with the structure of, the truncated NADPH-dependent sulfite reductase from Escherichia coli, suggests a binding site for the external electron donor ferredoxin close, to the [Fe4-S4] cluster.
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<StructureSection load='1zj9' size='340' side='right'caption='[[1zj9]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1zj9]] is a 2 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=1ZJ9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZJ9 FirstGlance]. <br>
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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]] 2.9&#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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=SRM:SIROHEME'>SRM</scene></td></tr>
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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=1zj9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zj9 OCA], [https://pdbe.org/1zj9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zj9 RCSB], [https://www.ebi.ac.uk/pdbsum/1zj9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zj9 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/SIR_MYCTU SIR_MYCTU]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/zj/1zj9_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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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=1zj9 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The nirA gene of Mycobacterium tuberculosis is up-regulated in the persistent state of the bacteria, suggesting that it is a potential target for the development of antituberculosis agents particularly active against the pathogen in its dormant phase. This gene encodes a ferredoxin-dependent sulfite reductase, and the structure of the enzyme has been determined using x-ray crystallography. The enzyme is a monomer comprising 555 amino acids and contains a [Fe4-S4] cluster and a siroheme cofactor. The molecule is built up of three domains with an alpha/beta fold. The first domain consists of two ferredoxin-like subdomains, related by a pseudo-2-fold symmetry axis passing through the whole molecule. The other two domains, which provide much of the binding interactions with the cofactors, have a common fold that is unique to the sulfite/nitrite reductase family. The domains form a trilobal structure, with the cofactors and the active site located at the interface of all three domains in the center of the molecule. NirA contains an unusual covalent bond between the side chains of Tyr69 and Cys161 in the active site, in close proximity to the siroheme cofactor. Removal of this covalent bond by site-directed mutagenesis impairs catalytic activity, suggesting that it is important for the enzymatic reaction. These residues are part of a sequence fingerprint, able to distinguish between ferredoxin-dependent sulfite and nitrite reductases. Comparison of NirA with the structure of the truncated NADPH-dependent sulfite reductase from Escherichia coli suggests a binding site for the external electron donor ferredoxin close to the [Fe4-S4] cluster.
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==About this Structure==
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Siroheme- and [Fe4-S4]-dependent NirA from Mycobacterium tuberculosis is a sulfite reductase with a covalent Cys-Tyr bond in the active site.,Schnell R, Sandalova T, Hellman U, Lindqvist Y, Schneider G J Biol Chem. 2005 Jul 22;280(29):27319-28. Epub 2005 May 24. PMID:15917234<ref>PMID:15917234</ref>
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1ZJ9 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 CL, SF4 and SRM as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Ferredoxin--nitrite_reductase Ferredoxin--nitrite reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.7.7.1 1.7.7.1] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1ZJ9 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Siroheme- and [Fe4-S4]-dependent NirA from Mycobacterium tuberculosis is a sulfite reductase with a covalent Cys-Tyr bond in the active site., Schnell R, Sandalova T, Hellman U, Lindqvist Y, Schneider G, J Biol Chem. 2005 Jul 22;280(29):27319-28. Epub 2005 May 24. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15917234 15917234]
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</div>
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[[Category: Ferredoxin--nitrite reductase]]
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<div class="pdbe-citations 1zj9" style="background-color:#fffaf0;"></div>
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[[Category: Mycobacterium tuberculosis]]
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== References ==
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[[Category: Single protein]]
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<references/>
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[[Category: Hellman, U.]]
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__TOC__
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[[Category: Lindqvist, Y.]]
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</StructureSection>
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[[Category: Sandalova, T.]]
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[[Category: Large Structures]]
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[[Category: Schneider, G.]]
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[[Category: Mycobacterium tuberculosis H37Rv]]
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[[Category: Schnell, R.]]
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[[Category: Hellman U]]
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[[Category: CL]]
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[[Category: Lindqvist Y]]
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[[Category: SF4]]
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[[Category: Sandalova T]]
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[[Category: SRM]]
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[[Category: Schneider G]]
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[[Category: cys-tyr covalent bond]]
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[[Category: Schnell R]]
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[[Category: fe4-s4]]
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[[Category: nira]]
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[[Category: nitrite]]
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[[Category: reductase]]
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[[Category: siroheme]]
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[[Category: sulfite]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 07:29:33 2007''
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Current revision

Structure of Mycobacterium tuberculosis NirA protein

PDB ID 1zj9

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