1ire: Difference between revisions

New page: left|200px<br /><applet load="1ire" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ire, resolution 1.80Å" /> '''Crystal Structure of...
 
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[[Image:1ire.gif|left|200px]]<br /><applet load="1ire" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1ire, resolution 1.80&Aring;" />
'''Crystal Structure of Co-type nitrile hydratase from Pseudonocardia thermophila'''<br />


==Overview==
==Crystal Structure of Co-type nitrile hydratase from Pseudonocardia thermophila==
The crystal structure of cobalt-containing nitrile hydratase from, Pseudonocardia thermophila JCM 3095 at 1.8 A resolution revealed the, structure of the noncorrin cobalt at the catalytic center. Two cysteine, residues (alphaCys(111) and alphaCys(113)) coordinated to the cobalt were, posttranslationally modified to cysteine-sulfinic acid and to, cysteine-sulfenic acid, respectively, like in iron-containing nitrile, hydratase. A tryptophan residue (betaTrp(72)), which may be involved in, substrate binding, replaced the tyrosine residue of iron-containing, nitrile hydratase. The difference seems to be responsible for the, preference for aromatic nitriles rather than aliphatic ones of, cobalt-containing nitrile hydratase.
<StructureSection load='1ire' size='340' side='right'caption='[[1ire]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1ire]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudonocardia_thermophila Pseudonocardia thermophila]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1IRE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1IRE 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]] 1.8&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene>, <scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</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=1ire FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ire OCA], [https://pdbe.org/1ire PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ire RCSB], [https://www.ebi.ac.uk/pdbsum/1ire PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ire ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/NHAA_PSETH NHAA_PSETH] NHase catalyzes the hydration of various nitrile compounds to the corresponding amides.
== 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/ir/1ire_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1ire ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The crystal structure of cobalt-containing nitrile hydratase from Pseudonocardia thermophila JCM 3095 at 1.8 A resolution revealed the structure of the noncorrin cobalt at the catalytic center. Two cysteine residues (alphaCys(111) and alphaCys(113)) coordinated to the cobalt were posttranslationally modified to cysteine-sulfinic acid and to cysteine-sulfenic acid, respectively, like in iron-containing nitrile hydratase. A tryptophan residue (betaTrp(72)), which may be involved in substrate binding, replaced the tyrosine residue of iron-containing nitrile hydratase. The difference seems to be responsible for the preference for aromatic nitriles rather than aliphatic ones of cobalt-containing nitrile hydratase.


==About this Structure==
Crystal structure of cobalt-containing nitrile hydratase.,Miyanaga A, Fushinobu S, Ito K, Wakagi T Biochem Biophys Res Commun. 2001 Nov 16;288(5):1169-74. PMID:11700034<ref>PMID:11700034</ref>
1IRE is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Pseudonocardia_thermophila Pseudonocardia thermophila] with CO as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Nitrile_hydratase Nitrile hydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.84 4.2.1.84] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1IRE OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Crystal structure of cobalt-containing nitrile hydratase., Miyanaga A, Fushinobu S, Ito K, Wakagi T, Biochem Biophys Res Commun. 2001 Nov 16;288(5):1169-74. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11700034 11700034]
</div>
[[Category: Nitrile hydratase]]
<div class="pdbe-citations 1ire" style="background-color:#fffaf0;"></div>
[[Category: Protein complex]]
 
==See Also==
*[[Nitrile hydratase|Nitrile hydratase]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudonocardia thermophila]]
[[Category: Pseudonocardia thermophila]]
[[Category: Fushinobu, S.]]
[[Category: Fushinobu S]]
[[Category: Ito, K.]]
[[Category: Ito K]]
[[Category: Miyanaga, A.]]
[[Category: Miyanaga A]]
[[Category: Wakagi, T.]]
[[Category: Wakagi T]]
[[Category: CO]]
[[Category: cysteine-sulfenic acid]]
[[Category: cysteine-sulfinic acid]]
[[Category: hydration]]
[[Category: nitrile]]
[[Category: non-corrin cobalt]]
[[Category: post-translational modification]]
 
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