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1ahj

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[[Image:1ahj.gif|left|200px]]<br /><applet load="1ahj" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1ahj, resolution 2.65&Aring;" />
 
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'''NITRILE HYDRATASE'''<br />
 
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==Overview==
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==NITRILE HYDRATASE==
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BACKGROUND: Nitrile hydratases are unusual metalloenzymes that catalyze, the hydration of nitriles to their corresponding amides. They are used as, biocatalysts in acrylamide production, one of the few commercial scale, bioprocesses, as well as in environmental remediation for the removal of, nitriles from waste streams. Nitrile hydratases are composed of two, subunits, alpha and beta, and they contain one iron atom per alphabeta, unit. We have determined the crystal structure of photoactivated, iron-containing nitrile hydratase from Rhodococcus sp. R312 to 2.65 A, resolution as a first step in the elucidation of its catalytic mechanism., RESULTS: The alpha subunit consists of a long N-terminal arm and a, C-terminal domain that forms a novel fold. This fold can be described as a, four layered structure, alpha-beta-beta-alpha, with unusual connectivities, between the beta strands. The beta subunit also contains a long N-terminal, extension, a helical domain, and a C-terminal domain that folds into a, beta roll. The two subunits form a tight heterodimer that is the, functional unit of the enzyme. The active site is located in a cavity at, the subunit-subunit interface. The iron centre is formed by residues from, the alpha subunit only-three cysteine thiolates and two mainchain amide, nitrogen atoms are ligands. CONCLUSIONS: Nitrile hydratases contain a, novel iron centre with a structure not previously observed in proteins; it, resembles a hybrid of the iron centres of heme and Fe-S proteins. The, low-spin electronic configuration presumably results in part from two, Fe-amide nitrogen bonds. The structure is consistent with the metal ion, having a role as a Lewis acid in the catalytic reaction.
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<StructureSection load='1ahj' size='340' side='right'caption='[[1ahj]], [[Resolution|resolution]] 2.65&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1ahj]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_sp._R312 Rhodococcus sp. R312]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AHJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1AHJ FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.65&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FE:FE+(III)+ION'>FE</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=1ahj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ahj OCA], [https://pdbe.org/1ahj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ahj RCSB], [https://www.ebi.ac.uk/pdbsum/1ahj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ahj 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/1ahj_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=1ahj ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1AHJ is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Rhodococcus_sp._r312 Rhodococcus sp. r312] with FE 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] Known structural/functional Sites: <scene name='pdbsite=FEA:Fe Binding Site'>FEA</scene>, <scene name='pdbsite=FEC:Fe Binding Site'>FEC</scene>, <scene name='pdbsite=FEE:Fe Binding Site'>FEE</scene> and <scene name='pdbsite=FEG:Fe Binding Site'>FEG</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1AHJ OCA].
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*[[Nitrile hydratase|Nitrile hydratase]]
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__TOC__
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==Reference==
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</StructureSection>
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Crystal structure of nitrile hydratase reveals a novel iron centre in a novel fold., Huang W, Jia J, Cummings J, Nelson M, Schneider G, Lindqvist Y, Structure. 1997 May 15;5(5):691-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9195885 9195885]
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[[Category: Large Structures]]
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[[Category: Nitrile hydratase]]
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[[Category: Rhodococcus sp. R312]]
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[[Category: Protein complex]]
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[[Category: Huang W]]
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[[Category: Rhodococcus sp. r312]]
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[[Category: Lindqvist Y]]
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[[Category: Huang, W.]]
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[[Category: Schneider G]]
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[[Category: Lindqvist, Y.]]
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[[Category: Schneider, G.]]
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[[Category: FE]]
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[[Category: iron center]]
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[[Category: lyase]]
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[[Category: nitrile hydratase]]
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[[Category: non-heme iron]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 14:15:11 2007''
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Current revision

NITRILE HYDRATASE

PDB ID 1ahj

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