3c70

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{{Seed}}
 
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[[Image:3c70.png|left|200px]]
 
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==HNL from Hevea brasiliensis to atomic resolution==
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The line below this paragraph, containing "STRUCTURE_3c70", creates the "Structure Box" on the page.
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<StructureSection load='3c70' size='340' side='right'caption='[[3c70]], [[Resolution|resolution]] 1.05&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3c70]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Hevea_brasiliensis Hevea brasiliensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3C70 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3C70 FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 1.05&#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=SCN:THIOCYANATE+ION'>SCN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_3c70| PDB=3c70 | SCENE= }}
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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=3c70 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3c70 OCA], [https://pdbe.org/3c70 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3c70 RCSB], [https://www.ebi.ac.uk/pdbsum/3c70 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3c70 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/HNL_HEVBR HNL_HEVBR] Involved in cyanogenesis, the release of HCN from injured tissues. Decomposes a varieties of (R) or (S) cyanohydrins into HCN and the corresponding aldehydes and ketones. The natural substrate of this enzyme is (S)-acetone cyanohydrin.
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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/c7/3c70_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=3c70 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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Hydroxynitrile lyases are versatile enzymes that enantiospecifically cope with cyanohydrins, important intermediates in the production of various agrochemicals or pharmaceuticals. We determined four atomic resolution crystal structures of hydroxynitrile lyase from Hevea brasiliensis: one native and three complexes with acetone, isopropyl alcohol, and thiocyanate. We observed distinct distance changes among the active site residues related to proton shifts upon substrate binding. The combined use of crystallography and ab initio quantum chemical calculations allowed the determination of the protonation states in the enzyme active site. We show that His(235) of the catalytic triad must be protonated in order for catalysis to proceed, and we could reproduce the cyanohydrin synthesis in ab initio calculations. We also found evidence for the considerable pK(a) shifts that had been hypothesized earlier. We envision that this knowledge can be used to enhance the catalytic properties and the stability of the enzyme for industrial production of enantiomerically pure cyanohydrins.
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===HNL from Hevea brasiliensis to atomic resolution===
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Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis.,Schmidt A, Gruber K, Kratky C, Lamzin VS J Biol Chem. 2008 Aug 1;283(31):21827-36. Epub 2008 Jun 4. PMID:18524775<ref>PMID:18524775</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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The line below this paragraph, {{ABSTRACT_PUBMED_18524775}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 3c70" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 18524775 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_18524775}}
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__TOC__
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</StructureSection>
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==About this Structure==
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3C70 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Hevea_brasiliensis Hevea brasiliensis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3C70 OCA].
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==Reference==
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Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis., Schmidt A, Gruber K, Kratky C, Lamzin VS, J Biol Chem. 2008 Aug 1;283(31):21827-36. Epub 2008 Jun 4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18524775 18524775]
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Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis., Zuegg J, Gruber K, Gugganig M, Wagner UG, Kratky C, Protein Sci. 1999 Oct;8(10):1990-2000. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10548044 10548044]
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Atomic resolution crystal structure of hydroxynitrile lyase from Hevea brasiliensis., Gruber K, Gugganig M, Wagner UG, Kratky C, Biol Chem. 1999 Jul-Aug;380(7-8):993-1000. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10494852 10494852]
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[[Category: Hevea brasiliensis]]
[[Category: Hevea brasiliensis]]
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[[Category: Hydroxynitrilase]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Schmidt A]]
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[[Category: Schmidt, A.]]
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[[Category: Ab initio calculation]]
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[[Category: Atomic resolution]]
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[[Category: Catalysis]]
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[[Category: Hydroxynitril lyase]]
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[[Category: Protonation state]]
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[[Category: Substrate binding]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 13 13:43:52 2008''
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Current revision

HNL from Hevea brasiliensis to atomic resolution

PDB ID 3c70

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