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[[Image:3thi.jpg|left|200px]]<br /><applet load="3thi" size="350" color="white" frame="true" align="right" spinBox="true"
caption="3thi, resolution 2.0&Aring;" />
'''THIAMINASE I FROM BACILLUS THIAMINOLYTICUS'''<br />


==Overview==
==THIAMINASE I FROM BACILLUS THIAMINOLYTICUS==
Thiaminase-I catalyzes the replacement of the thiazole moiety of thiamin with a wide variety of nucleophiles, such as pyridine, aniline, catechols, quinoline, and cysteine. The crystal structure of the enzyme from Bacillus thiaminolyticus was determined at 2.5 A resolution by multiple isomorphous replacement and refined to an R factor of 0.195 (Rfree = 0.272). Two other structures, one native and one containing a covalently bound inhibitor, were determined at 2.0 A resolution by molecular replacement from a second crystal form and were refined to R factors of 0.205 and 0.217 (Rfree = 0.255 and 0.263), respectively. The overall structure contains two alpha/beta-type domains separated by a large cleft. At the base of the cleft lies Cys113, previously identified as a key active site nucleophile. The structure with a covalently bound thiamin analogue, which functions as a mechanism-based inactivating agent, confirms the location of the active site. Glu241 appears to function as an active site base to increase the nucleophilicity of Cys113. The mutant Glu241Gln was made and shows no activity. Thiaminase-I shows no sequence identity to other proteins in the sequence databases, but the three-dimensional structure shows very high structural homology to the periplasmic binding proteins and the transferrins.
<StructureSection load='3thi' size='340' side='right'caption='[[3thi]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3thi]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3THI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3THI 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&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=3thi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3thi OCA], [https://pdbe.org/3thi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3thi RCSB], [https://www.ebi.ac.uk/pdbsum/3thi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3thi ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/THI1_PANTH THI1_PANTH] Degrades thiamine by replacing its thiazole moiety with a wide range of nucleophiles.
== 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/th/3thi_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=3thi ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
3THI is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis] with <scene name='pdbligand=SO4:'>SO4</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Thiamine_pyridinylase Thiamine pyridinylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.2 2.5.1.2] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3THI OCA].
*[[Thiaminase|Thiaminase]]
 
__TOC__
==Reference==
</StructureSection>
Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution., Campobasso N, Costello CA, Kinsland C, Begley TP, Ealick SE, Biochemistry. 1998 Nov 10;37(45):15981-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9843405 9843405]
[[Category: Bacillus subtilis]]
[[Category: Bacillus subtilis]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Thiamine pyridinylase]]
[[Category: Begley TP]]
[[Category: Begley, T P.]]
[[Category: Campobasso N]]
[[Category: Campobasso, N.]]
[[Category: Ealick SE]]
[[Category: Ealick, S E.]]
[[Category: SO4]]
[[Category: thiamin degradation]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:11:31 2008''

Latest revision as of 16:28, 14 March 2024

THIAMINASE I FROM BACILLUS THIAMINOLYTICUSTHIAMINASE I FROM BACILLUS THIAMINOLYTICUS

Structural highlights

3thi is a 1 chain structure with sequence from Bacillus subtilis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

THI1_PANTH Degrades thiamine by replacing its thiazole moiety with a wide range of nucleophiles.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

3thi, resolution 2.00Å

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