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[[Image:2dd4.jpg|left|200px]]


{{Structure
==Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus recombinant apo-enzyme==
|PDB= 2dd4 |SIZE=350|CAPTION= <scene name='initialview01'>2dd4</scene>, resolution 2.06&Aring;
<StructureSection load='2dd4' size='340' side='right'caption='[[2dd4]], [[Resolution|resolution]] 2.06&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <scene name='pdbligand=FRU:FRUCTOSE'>FRU</scene>, <scene name='pdbligand=TAR:D(-)-TARTARIC+ACID'>TAR</scene>
<table><tr><td colspan='2'>[[2dd4]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Thiobacillus_thioparus Thiobacillus thioparus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2DD4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2DD4 FirstGlance]. <br>
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Thiocyanate_hydrolase Thiocyanate hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.5.8 3.5.5.8] </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]] 2.06&#8491;</td></tr>
|GENE=
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FRU:FRUCTOSE'>FRU</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene></td></tr>
|DOMAIN=
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2dd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2dd4 OCA], [https://pdbe.org/2dd4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2dd4 RCSB], [https://www.ebi.ac.uk/pdbsum/2dd4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2dd4 ProSAT]</span></td></tr>
|RELATEDENTRY=[[2dd5|2DD5]]
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2dd4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2dd4 OCA], [http://www.ebi.ac.uk/pdbsum/2dd4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2dd4 RCSB]</span>
== Function ==
}}
[https://www.uniprot.org/uniprot/SCNA_THITI SCNA_THITI] Involved in the degradation of thiocyanate.
 
== Evolutionary Conservation ==
'''Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus recombinant apo-enzyme'''
[[Image:Consurf_key_small.gif|200px|right]]
 
Check<jmol>
 
  <jmolCheckbox>
==Overview==
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dd/2dd4_consurf.spt"</scriptWhenChecked>
Thiocyanate hydrolase (SCNase) of Thiobacillus thioparus THI115 is a cobalt(III)-containing enzyme catalyzing the degradation of thiocyanate to carbonyl sulfide and ammonia. We determined the crystal structures of the apo- and native SCNases at a resolution of 2.0 A. SCNases in both forms had a conserved hetero-dodecameric structure, (alphabetagamma)(4). Four alphabetagamma hetero-trimers were structurally equivalent. One alphabetagamma hetero-trimer was composed of the core domain and the betaN domain, which was located at the center of the molecule and linked the hetero-trimers with novel quaternary interfaces. In both the apo- and native SCNases, the core domain was structurally conserved between those of iron and cobalt-types of nitrile hydratase (NHase). Native SCNase possessed the post-translationally modified cysteine ligands, gammaCys131-SO(2)H and gammaCys133-SOH like NHases. However, the low-spin cobalt(III) was found to be in the distorted square-pyramidal geometry, which had not been reported before in any protein. The size as well as the electrostatic properties of the substrate-binding pocket was totally different from NHases with respect to the charge distribution and the substrate accessibility, which rationally explains the differences in the substrate preference between SCNase and NHase.
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
 
    <text>to colour the structure by Evolutionary Conservation</text>
==About this Structure==
  </jmolCheckbox>
2DD4 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Thiobacillus_thioparus Thiobacillus thioparus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2DD4 OCA].  
</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=2dd4 ConSurf].
 
<div style="clear:both"></div>
==Reference==
__TOC__
Structure of thiocyanate hydrolase: a new nitrile hydratase family protein with a novel five-coordinate cobalt(III) center., Arakawa T, Kawano Y, Kataoka S, Katayama Y, Kamiya N, Yohda M, Odaka M, J Mol Biol. 2007 Mar 9;366(5):1497-509. Epub 2006 Dec 8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17222425 17222425]
</StructureSection>
[[Category: Protein complex]]
[[Category: Large Structures]]
[[Category: Thiobacillus thioparus]]
[[Category: Thiobacillus thioparus]]
[[Category: Thiocyanate hydrolase]]
[[Category: Arakawa T]]
[[Category: Arakawa, T.]]
[[Category: Kamiya N]]
[[Category: Kamiya, N.]]
[[Category: Kataoka S]]
[[Category: Kataoka, S.]]
[[Category: Katayama Y]]
[[Category: Katayama, Y.]]
[[Category: Kawano Y]]
[[Category: Kawano, Y.]]
[[Category: Odaka M]]
[[Category: Odaka, M.]]
[[Category: Yohda M]]
[[Category: Yohda, M.]]
[[Category: carbonyl sulfide]]
[[Category: claw setting]]
[[Category: cobalt]]
[[Category: complex]]
[[Category: enzyme]]
[[Category: hydrolase]]
[[Category: metalloprotein]]
[[Category: model complex]]
[[Category: nitrile hydratase]]
[[Category: non-corrin]]
[[Category: protein]]
[[Category: sulfenic acid]]
[[Category: sulfinic acid]]
[[Category: thiocyanate]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:33:09 2008''
Retrieved from "https://proteopedia.org/2dd4"