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New page: left|200px {{Structure |PDB= 2pp7 |SIZE=350|CAPTION= <scene name='initialview01'>2pp7</scene>, resolution 1.65Å |SITE= <scene name='pdbsite=AC1:Cu1+Binding+Site+...
 
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{{Structure
==Crystal structure of anaerobically manipulated wild type oxidized AfNiR (acetate bound)==
|PDB= 2pp7 |SIZE=350|CAPTION= <scene name='initialview01'>2pp7</scene>, resolution 1.65&Aring;
<StructureSection load='2pp7' size='340' side='right'caption='[[2pp7]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
|SITE= <scene name='pdbsite=AC1:Cu1+Binding+Site+For+Residue+A+501'>AC1</scene>, <scene name='pdbsite=AC2:Cu+Binding+Site+For+Residue+A+502'>AC2</scene>, <scene name='pdbsite=AC3:Cu1+Binding+Site+For+Residue+B+501'>AC3</scene>, <scene name='pdbsite=AC4:Cu+Binding+Site+For+Residue+B+502'>AC4</scene>, <scene name='pdbsite=AC5:Cu1+Binding+Site+For+Residue+C+501'>AC5</scene>, <scene name='pdbsite=AC6:Cu+Binding+Site+For+Residue+C+502'>AC6</scene>, <scene name='pdbsite=AC7:Act+Binding+Site+For+Residue+A+503'>AC7</scene>, <scene name='pdbsite=AC8:Act+Binding+Site+For+Residue+B+503'>AC8</scene>, <scene name='pdbsite=AC9:Act+Binding+Site+For+Residue+C+503'>AC9</scene>, <scene name='pdbsite=BC1:Act+Binding+Site+For+Residue+B+2003'>BC1</scene>, <scene name='pdbsite=BC2:Act+Binding+Site+For+Residue+B+2004'>BC2</scene>, <scene name='pdbsite=BC3:Act+Binding+Site+For+Residue+B+2005'>BC3</scene>, <scene name='pdbsite=BC4:Act+Binding+Site+For+Residue+C+2007'>BC4</scene>, <scene name='pdbsite=BC5:Act+Binding+Site+For+Residue+C+2008'>BC5</scene>, <scene name='pdbsite=BC6:Act+Binding+Site+For+Residue+C+2009'>BC6</scene>, <scene name='pdbsite=BC7:Act+Binding+Site+For+Residue+A+2010'>BC7</scene>, <scene name='pdbsite=BC8:Act+Binding+Site+For+Residue+A+2011'>BC8</scene>, <scene name='pdbsite=BC9:Act+Binding+Site+For+Residue+B+2012'>BC9</scene>, <scene name='pdbsite=CC1:Act+Binding+Site+For+Residue+C+2013'>CC1</scene> and <scene name='pdbsite=CC2:Trs+Binding+Site+For+Residue+A+1'>CC2</scene>
== Structural highlights ==
|LIGAND= <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=CU1:COPPER+(I)+ION'>CU1</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene>
<table><tr><td colspan='2'>[[2pp7]] 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=2PP7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2PP7 FirstGlance]. <br>
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitrite_reductase_(NO-forming) Nitrite reductase (NO-forming)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.7.2.1 1.7.2.1] </span>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.65&#8491;</td></tr>
|GENE= nirK, nir ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=511 Alcaligenes faecalis])
<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=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=CU1:COPPER+(I)+ION'>CU1</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene></td></tr>
|DOMAIN=<span class='plainlinks'>[http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=pfam07732 Cu-oxidase_3], [http://www.ncbi.nlm.nih.gov/Structure/cdd/cddsrv.cgi?uid=pfam00394 Cu-oxidase]</span>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2pp7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pp7 OCA], [https://pdbe.org/2pp7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2pp7 RCSB], [https://www.ebi.ac.uk/pdbsum/2pp7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2pp7 ProSAT]</span></td></tr>
|RELATEDENTRY=[[1snr|1SNR]], [[1sjm|1SJM]], [[2fjs|2FJS]]
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2pp7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pp7 OCA], [http://www.ebi.ac.uk/pdbsum/2pp7 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2pp7 RCSB]</span>
== Function ==
}}
[https://www.uniprot.org/uniprot/NIR_ALCFA NIR_ALCFA]  
== 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/pp/2pp7_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=2pp7 ConSurf].
<div style="clear:both"></div>


'''Crystal structure of anaerobically manipulated wild type oxidized AfNiR (acetate bound)'''
==See Also==
 
*[[Nitrite reductase 3D structures|Nitrite reductase 3D structures]]
 
__TOC__
==Overview==
</StructureSection>
The interaction of copper-containing dissimilatory nitrite reductase from Alcaligenes faecalis S-6 ( AfNiR) with each of five small molecules was studied using crystallography and steady-state kinetics. Structural studies revealed that each small molecule interacted with the oxidized catalytic type 2 copper of AfNiR. Three small molecules (formate, acetate and nitrate) mimic the substrate by having at least two oxygen atoms for bidentate coordination to the type 2 copper atom. These three anions bound to the copper ion in the same asymmetric, bidentate manner as nitrite. Consistent with their weak inhibition of the enzyme ( K i &gt;50 mM), the Cu-O distances in these AfNiR-inhibitor complexes were approximately 0.15 A longer than that observed in the AfNiR-nitrite complex. The binding mode of each inhibitor is determined in part by steric interactions with the side chain of active site residue Ile257. Moreover, the side chain of Asp98, a conserved residue that hydrogen bonds to type 2 copper-bound nitrite and nitric oxide, was either disordered or pointed away from the inhibitors. Acetate and formate inhibited AfNiR in a mixed fashion, consistent with the occurrence of second acetate binding site in the AfNiR-acetate complex that occludes access to the type 2 copper. A fourth small molecule, nitrous oxide, bound to the oxidized metal in a side-on fashion reminiscent of nitric oxide to the reduced copper. Nevertheless, nitrous oxide bound at a farther distance from the metal. The fifth small molecule, azide, inhibited the reduction of nitrite by AfNiR most strongly ( K ic = 2.0 +/- 0.1 mM). This ligand bound to the type 2 copper center end-on with a Cu-N c distance of approximately 2 A, and was the only inhibitor to form a hydrogen bond with Asp98. Overall, the data substantiate the roles of Asp98 and Ile257 in discriminating substrate from other small anions.
 
==About this Structure==
2PP7 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Alcaligenes_faecalis Alcaligenes faecalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2PP7 OCA].
 
==Reference==
Conserved Active Site Residues Limit Inhibition of a Copper-Containing Nitrite Reductase by Small Molecules., Tocheva EI, Eltis LD, Murphy ME, Biochemistry. 2008 Mar 22;. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18358002 18358002]
[[Category: Alcaligenes faecalis]]
[[Category: Alcaligenes faecalis]]
[[Category: Nitrite reductase (NO-forming)]]
[[Category: Large Structures]]
[[Category: Single protein]]
[[Category: Murphy MEP]]
[[Category: Murphy, M E.P.]]
[[Category: Tocheva EI]]
[[Category: Tocheva, E I.]]
[[Category: bacteria]]
[[Category: copper]]
[[Category: denitrification]]
[[Category: nitric oxide]]
[[Category: nitrite]]
[[Category: oxidoreductase]]
[[Category: reductase]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr  2 11:57:50 2008''
Retrieved from "https://proteopedia.org/2pp7"