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[[Image:1s3t.gif|left|200px]]
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{{STRUCTURE_1s3t|  PDB=1s3t  |  SCENE=  }}
'''BORATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE'''


==BORATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE==
<StructureSection load='1s3t' size='340' side='right'caption='[[1s3t]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1s3t]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Sporosarcina_pasteurii Sporosarcina pasteurii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1S3T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1S3T FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BO3:BORIC+ACID'>BO3</scene>, <scene name='pdbligand=CXM:N-CARBOXYMETHIONINE'>CXM</scene>, <scene name='pdbligand=KCX:LYSINE+NZ-CARBOXYLIC+ACID'>KCX</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1s3t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1s3t OCA], [https://pdbe.org/1s3t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1s3t RCSB], [https://www.ebi.ac.uk/pdbsum/1s3t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1s3t ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/URE3_SPOPA URE3_SPOPA]
== 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/s3/1s3t_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=1s3t ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The structure of the complex of urease, a Ni-containing metalloenzyme, with boric acid was determined at 2.10 A resolution. The complex shows the unprecedented binding mode of the competitive inhibitor to the dinuclear metal center, with the B(OH)3 molecule bridging the Ni ions and leaving in place the bridging hydroxide. Boric acid can be considered a substrate analogue of urea, and the structure supports the proposal that the Ni-bridging hydroxide acts as the nucleophile in the enzymatic process of urea hydrolysis.


==Overview==
Molecular details of urease inhibition by boric acid: insights into the catalytic mechanism.,Benini S, Rypniewski WR, Wilson KS, Mangani S, Ciurli S J Am Chem Soc. 2004 Mar 31;126(12):3714-5. PMID:15038715<ref>PMID:15038715</ref>
The structure of the complex of urease, a Ni-containing metalloenzyme, with boric acid was determined at 2.10 A resolution. The complex shows the unprecedented binding mode of the competitive inhibitor to the dinuclear metal center, with the B(OH)3 molecule bridging the Ni ions and leaving in place the bridging hydroxide. Boric acid can be considered a substrate analogue of urea, and the structure supports the proposal that the Ni-bridging hydroxide acts as the nucleophile in the enzymatic process of urea hydrolysis.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
1S3T is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Sporosarcina_pasteurii Sporosarcina pasteurii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1S3T OCA].
</div>
<div class="pdbe-citations 1s3t" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Molecular details of urease inhibition by boric acid: insights into the catalytic mechanism., Benini S, Rypniewski WR, Wilson KS, Mangani S, Ciurli S, J Am Chem Soc. 2004 Mar 31;126(12):3714-5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15038715 15038715]
*[[Urease 3D structures|Urease 3D structures]]
[[Category: Protein complex]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Sporosarcina pasteurii]]
[[Category: Sporosarcina pasteurii]]
[[Category: Urease]]
[[Category: Benini S]]
[[Category: Benini, S.]]
[[Category: Ciurli S]]
[[Category: Ciurli, S.]]
[[Category: Mangani S]]
[[Category: Mangani, S.]]
[[Category: Rypniewski WR]]
[[Category: Rypniewski, W R.]]
[[Category: Wilson KS]]
[[Category: Wilson, K S.]]
[[Category: Bacillus pasteurii]]
[[Category: Borate]]
[[Category: Metalloenzyme]]
[[Category: Nickel]]
[[Category: Urease]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 08:15:45 2008''
Retrieved from "https://proteopedia.org/1s3t"