2dd4: Difference between revisions

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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> and <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= [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]  
</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>
}}
<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>
 
</table>
'''Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus recombinant apo-enzyme'''
== Function ==
 
[https://www.uniprot.org/uniprot/SCNA_THITI SCNA_THITI] Involved in the degradation of thiocyanate.
 
== Evolutionary Conservation ==
==Overview==
[[Image:Consurf_key_small.gif|200px|right]]
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.
Check<jmol>
 
  <jmolCheckbox>
==About this Structure==
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dd/2dd4_consurf.spt"</scriptWhenChecked>
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].  
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
 
    <text>to colour the structure by Evolutionary Conservation</text>
==Reference==
  </jmolCheckbox>
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]
</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].
[[Category: Protein complex]]
<div style="clear:both"></div>
__TOC__
</StructureSection>
[[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: FRU]]
[[Category: TAR]]
[[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]]
 
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Retrieved from "https://proteopedia.org/2dd4"