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[[Image:2ahj.gif|left|200px]]
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{{STRUCTURE_2ahj|  PDB=2ahj  |  SCENE=  }}
'''NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE'''


==NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE==
<StructureSection load='2ahj' size='340' side='right'caption='[[2ahj]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2ahj]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_erythropolis Rhodococcus erythropolis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AHJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2AHJ 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]] 1.7&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene>, <scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=DIO:1,4-DIETHYLENE+DIOXIDE'>DIO</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=NO:NITRIC+OXIDE'>NO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=2ahj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ahj OCA], [https://pdbe.org/2ahj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ahj RCSB], [https://www.ebi.ac.uk/pdbsum/2ahj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ahj ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/NHAA_RHOER NHAA_RHOER] NHase catalyzes the hydration of various nitrile compounds to the corresponding amides. Industrial production of acrylamide is now being developed using some of the enzymes of this class.
== 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/ah/2ahj_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=2ahj ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The iron-containing nitrile hydratase (NHase) is a photoreactive enzyme that is inactivated in the dark because of persistent association with NO and activated by photo-dissociation of NO. The crystal structure at 1.7 A resolution and mass spectrometry revealed the structure of the non-heme iron catalytic center in the nitrosylated state. Two Cys residues coordinated to the iron were post-translationally modified to Cys-sulfenic and -sulfinic acids. Together with another oxygen atom of the Ser ligand, these modifications induced a claw setting of oxygen atoms capturing an NO molecule. This unprecedented structure is likely to enable the photo-regulation of NHase and will provide an excellent model for designing photo-controllable chelate complexes and, ultimately, proteins.


==Overview==
Novel non-heme iron center of nitrile hydratase with a claw setting of oxygen atoms.,Nagashima S, Nakasako M, Dohmae N, Tsujimura M, Takio K, Odaka M, Yohda M, Kamiya N, Endo I Nat Struct Biol. 1998 May;5(5):347-51. PMID:9586994<ref>PMID:9586994</ref>
The iron-containing nitrile hydratase (NHase) is a photoreactive enzyme that is inactivated in the dark because of persistent association with NO and activated by photo-dissociation of NO. The crystal structure at 1.7 A resolution and mass spectrometry revealed the structure of the non-heme iron catalytic center in the nitrosylated state. Two Cys residues coordinated to the iron were post-translationally modified to Cys-sulfenic and -sulfinic acids. Together with another oxygen atom of the Ser ligand, these modifications induced a claw setting of oxygen atoms capturing an NO molecule. This unprecedented structure is likely to enable the photo-regulation of NHase and will provide an excellent model for designing photo-controllable chelate complexes and, ultimately, proteins.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
2AHJ is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Rhodococcus_erythropolis Rhodococcus erythropolis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AHJ OCA].
</div>
<div class="pdbe-citations 2ahj" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Novel non-heme iron center of nitrile hydratase with a claw setting of oxygen atoms., Nagashima S, Nakasako M, Dohmae N, Tsujimura M, Takio K, Odaka M, Yohda M, Kamiya N, Endo I, Nat Struct Biol. 1998 May;5(5):347-51. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9586994 9586994]
*[[Nitrile hydratase|Nitrile hydratase]]
[[Category: Nitrile hydratase]]
== References ==
[[Category: Protein complex]]
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Rhodococcus erythropolis]]
[[Category: Rhodococcus erythropolis]]
[[Category: Dohmae, N.]]
[[Category: Dohmae N]]
[[Category: Endo, I.]]
[[Category: Endo I]]
[[Category: Kamiya, N.]]
[[Category: Kamiya N]]
[[Category: Nagashima, S.]]
[[Category: Nagashima S]]
[[Category: Nakasako, M.]]
[[Category: Nakasako M]]
[[Category: Odaka, M.]]
[[Category: Odaka M]]
[[Category: Takio, K.]]
[[Category: Takio K]]
[[Category: Tsujimura, M.]]
[[Category: Tsujimura M]]
[[Category: Yohda, M.]]
[[Category: Yohda M]]
[[Category: Hydratase]]
[[Category: Lyase]]
[[Category: Nitric oxide binding enzyme]]
[[Category: Non-heme iron center]]
[[Category: Photoreactive enzyme]]
[[Category: Post-translational modification of cysteine residue]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 19:03:26 2008''
Retrieved from "https://proteopedia.org/2ahj"