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2ahj

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[[Image:2ahj.gif|left|200px]]<br /><applet load="2ahj" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2ahj, resolution 1.7&Aring;" />
 
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'''NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE'''<br />
 
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==Overview==
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==NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE==
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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.
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<StructureSection load='2ahj' size='340' side='right'caption='[[2ahj]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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== Structural highlights ==
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<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>
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</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>
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<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>
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</table>
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== Function ==
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[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.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ah/2ahj_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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==About this Structure==
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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>
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2AHJ is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Rhodococcus_erythropolis Rhodococcus erythropolis] with <scene name='pdbligand=FE:'>FE</scene>, <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=NO:'>NO</scene> and <scene name='pdbligand=DIO:'>DIO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. 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] Known structural/functional Sites: <scene name='pdbsite=1:In+Chain+C'>1</scene>, <scene name='pdbsite=CTA:Non-Heme+Fe+Center+And+Catalytic+Site+Site_description+I+...'>CTA</scene> and <scene name='pdbsite=CTB:In+Chain+A+Site_identifier+Ctb+Site_description+Non-Heme+...'>CTB</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AHJ OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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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://ispc.weizmann.ac.il//pmbin/getpm?pmid=9586994 9586994]
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</div>
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[[Category: Nitrile hydratase]]
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<div class="pdbe-citations 2ahj" style="background-color:#fffaf0;"></div>
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[[Category: Protein complex]]
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[[Category: Rhodococcus erythropolis]]
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[[Category: Dohmae, N.]]
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[[Category: Endo, I.]]
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[[Category: Kamiya, N.]]
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[[Category: Nagashima, S.]]
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[[Category: Nakasako, M.]]
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[[Category: Odaka, M.]]
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[[Category: Takio, K.]]
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[[Category: Tsujimura, M.]]
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[[Category: Yohda, M.]]
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[[Category: DIO]]
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[[Category: FE]]
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[[Category: NO]]
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[[Category: SO4]]
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[[Category: ZN]]
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[[Category: hydratase]]
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[[Category: lyase]]
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[[Category: nitric oxide binding enzyme]]
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[[Category: non-heme iron center]]
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[[Category: photoreactive enzyme]]
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[[Category: post-translational modification of cysteine residues]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 10:22:55 2008''
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==See Also==
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*[[Nitrile hydratase|Nitrile hydratase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Rhodococcus erythropolis]]
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[[Category: Dohmae N]]
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[[Category: Endo I]]
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[[Category: Kamiya N]]
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[[Category: Nagashima S]]
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[[Category: Nakasako M]]
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[[Category: Odaka M]]
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[[Category: Takio K]]
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[[Category: Tsujimura M]]
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[[Category: Yohda M]]

Current revision

NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE

PDB ID 2ahj

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