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1aq8

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[[Image:1aq8.gif|left|200px]]<br /><applet load="1aq8" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1aq8, resolution 2.0&Aring;" />
 
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'''STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE REDUCED WITH ASCORBATE'''<br />
 
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==Overview==
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==STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE REDUCED WITH ASCORBATE==
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The structures of oxidized, reduced, nitrite-soaked oxidized and, nitrite-soaked reduced nitrite reductase from Alcaligenes faecalis have, been determined at 1.8-2.0 A resolution using data collected at -160, degrees C. The active site at cryogenic temperature, as at room, temperature, contains a tetrahedral type II copper site liganded by three, histidines and a water molecule. The solvent site is empty when crystals, are reduced with ascorbate. A fully occupied oxygen-coordinate nitrite, occupies the solvent site in crystals soaked in nitrite. Ascorbate-reduced, crystals soaked in a glycerol-methanol solution and nitrite at -40 degrees, C remain colorless at -160 degrees C but turn amber-brown when warmed, suggesting that NO is released. Nitrite is found at one-half occupancy., Five new solvent sites in the oxidized nitrite bound form exhibit defined, but different occupancies in the other three forms. These results support, a previously proposed mechanism by which nitrite is bound primarily by a, single oxygen atom that is protonable, and after reduction and cleavage of, that N-O bond, NO is released leaving the oxygen atom bound to the Cu site, as hydroxide or water.
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<StructureSection load='1aq8' size='340' side='right'caption='[[1aq8]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1aq8]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Alcaligenes_faecalis Alcaligenes faecalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AQ8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1AQ8 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&#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=CU:COPPER+(II)+ION'>CU</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=1aq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1aq8 OCA], [https://pdbe.org/1aq8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1aq8 RCSB], [https://www.ebi.ac.uk/pdbsum/1aq8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1aq8 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/NIR_ALCFA NIR_ALCFA]
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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/aq/1aq8_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=1aq8 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 structures of oxidized, reduced, nitrite-soaked oxidized and nitrite-soaked reduced nitrite reductase from Alcaligenes faecalis have been determined at 1.8-2.0 A resolution using data collected at -160 degrees C. The active site at cryogenic temperature, as at room temperature, contains a tetrahedral type II copper site liganded by three histidines and a water molecule. The solvent site is empty when crystals are reduced with ascorbate. A fully occupied oxygen-coordinate nitrite occupies the solvent site in crystals soaked in nitrite. Ascorbate-reduced crystals soaked in a glycerol-methanol solution and nitrite at -40 degrees C remain colorless at -160 degrees C but turn amber-brown when warmed, suggesting that NO is released. Nitrite is found at one-half occupancy. Five new solvent sites in the oxidized nitrite bound form exhibit defined but different occupancies in the other three forms. These results support a previously proposed mechanism by which nitrite is bound primarily by a single oxygen atom that is protonable, and after reduction and cleavage of that N-O bond, NO is released leaving the oxygen atom bound to the Cu site as hydroxide or water.
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==About this Structure==
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Structure of nitrite bound to copper-containing nitrite reductase from Alcaligenes faecalis. Mechanistic implications.,Murphy ME, Turley S, Adman ET J Biol Chem. 1997 Nov 7;272(45):28455-60. PMID:9353305<ref>PMID:9353305</ref>
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1AQ8 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Alcaligenes_faecalis Alcaligenes faecalis] with CU as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Transferred_entry:_1.7.2.1 Transferred entry: 1.7.2.1], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.7.99.3 1.7.99.3] Known structural/functional Sites: <scene name='pdbsite=CU1:Cu Site'>CU1</scene>, <scene name='pdbsite=CU3:Cu Site'>CU3</scene> and <scene name='pdbsite=CU5:Cu Site'>CU5</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1AQ8 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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Structure of nitrite bound to copper-containing nitrite reductase from Alcaligenes faecalis. Mechanistic implications., Murphy ME, Turley S, Adman ET, J Biol Chem. 1997 Nov 7;272(45):28455-60. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9353305 9353305]
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</div>
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[[Category: Alcaligenes faecalis]]
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<div class="pdbe-citations 1aq8" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Transferred entry: 1.7.2.1]]
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[[Category: Adman, E.T.]]
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[[Category: Murphy, M.E.P.]]
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[[Category: Turley, S.]]
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[[Category: CU]]
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[[Category: copper]]
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[[Category: denitrification]]
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[[Category: nitrite]]
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[[Category: oxidoreductase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 14:19:33 2007''
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==See Also==
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*[[Nitrite reductase 3D structures|Nitrite reductase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Alcaligenes faecalis]]
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[[Category: Large Structures]]
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[[Category: Adman ET]]
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[[Category: Murphy MEP]]
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[[Category: Turley S]]

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STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE REDUCED WITH ASCORBATE

PDB ID 1aq8

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