1fwi

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[[Image:1fwi.gif|left|200px]]<br /><applet load="1fwi" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1fwi, resolution 2.0&Aring;" />
 
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'''KLEBSIELLA AEROGENES UREASE, H134A VARIANT'''<br />
 
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==Overview==
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==KLEBSIELLA AEROGENES UREASE, H134A VARIANT==
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A mutant form of Klebsiella aerogenes urease possessing Ala instead of His, at position 134 (H134A) is inactive and binds approximately half the, normal complement of nickel (Park, I.-S., and Hausinger, R. P.(1993), Protein Sci. 2, 1034-1041). The crystal structure of the H134A protein was, obtained at 2.0-A resolution, and it confirms that only Ni-1 of the two, nickel ions found in the native enzyme is present. In contrast to the, pseudotetrahedral geometry observed for Ni-1 in native urease (where it is, liganded by His-246, His-272, one oxygen atom of carbamylated Lys-217, and, a water molecule at partial occupancy), the mononickel metallocenter in, the H134A protein was found to possess octahedral geometry and was, coordinated by the above protein ligands plus three water molecules. The, nickel site of H134A urease was probed by UV-visible, variable temperature, magnetic circular dichroism, and x-ray absorption spectroscopies. The, spectroscopic data are consistent with the presence of Ni(II) in, octahedral geometry coordinated by two histidylimidazoles and additional, oxygen and/or nitrogen donors. These data underscore the requirement of, Ni-2 for formation of active urease and demonstrate the important role of, Ni-2 in establishing the proper Ni-1 coordination geometry.
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<StructureSection load='1fwi' size='340' side='right'caption='[[1fwi]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1fwi]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_aerogenes Klebsiella aerogenes]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FWI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FWI 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=KCX:LYSINE+NZ-CARBOXYLIC+ACID'>KCX</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</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=1fwi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fwi OCA], [https://pdbe.org/1fwi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1fwi RCSB], [https://www.ebi.ac.uk/pdbsum/1fwi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1fwi ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/URE3_KLEAE URE3_KLEAE]
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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/fw/1fwi_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=1fwi ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1FWI is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Klebsiella_aerogenes Klebsiella aerogenes] with <scene name='pdbligand=NI:'>NI</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Urease Urease], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.5 3.5.1.5] Known structural/functional Sites: <scene name='pdbsite=ACT:Residue+Implicated+In+Catalysis'>ACT</scene> and <scene name='pdbsite=NIL:Ni+Metallocenter'>NIL</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FWI OCA].
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*[[Urease 3D structures|Urease 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Characterization of the mononickel metallocenter in H134A mutant urease., Park IS, Michel LO, Pearson MA, Jabri E, Karplus PA, Wang S, Dong J, Scott RA, Koehler BP, Johnson MK, Hausinger RP, J Biol Chem. 1996 Aug 2;271(31):18632-7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8702515 8702515]
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[[Category: Klebsiella aerogenes]]
[[Category: Klebsiella aerogenes]]
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[[Category: Protein complex]]
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[[Category: Large Structures]]
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[[Category: Urease]]
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[[Category: Karplus PA]]
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[[Category: Karplus, P.A.]]
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[[Category: Pearson MA]]
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[[Category: Pearson, M.A.]]
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[[Category: NI]]
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[[Category: hydrolase(urea amido)]]
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[[Category: mutant]]
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[[Category: nickel metalloenzyme]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 09:40:16 2008''
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Current revision

KLEBSIELLA AEROGENES UREASE, H134A VARIANT

PDB ID 1fwi

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