2ah1

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(New page: 200px<br /><applet load="2ah1" size="450" color="white" frame="true" align="right" spinBox="true" caption="2ah1, resolution 1.200&Aring;" /> '''Crystal structure o...)
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[[Image:2ah1.gif|left|200px]]<br /><applet load="2ah1" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="2ah1, resolution 1.200&Aring;" />
 
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'''Crystal structure of aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis'''<br />
 
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==Overview==
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==Crystal structure of aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis==
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We present an atomic-level description of the reaction chemistry of an, enzyme-catalyzed reaction dominated by proton tunneling. By solving, structures of reaction intermediates at near-atomic resolution, we have, identified the reaction pathway for tryptamine oxidation by aromatic amine, dehydrogenase. Combining experiment and computer simulation, we show, proton transfer occurs predominantly to oxygen O2 of Asp(128)beta in a, reaction dominated by tunneling over approximately 0.6 angstroms. The role, of long-range coupled motions in promoting tunneling is controversial. We, show that, in this enzyme system, tunneling is promoted by a short-range, motion modulating proton-acceptor distance and no long-range coupled, motion is required.
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<StructureSection load='2ah1' size='340' side='right'caption='[[2ah1]], [[Resolution|resolution]] 1.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2ah1]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Alcaligenes_faecalis Alcaligenes faecalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AH1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2AH1 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]] 1.2&#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=TRQ:2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC+ACID'>TRQ</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=2ah1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ah1 OCA], [https://pdbe.org/2ah1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ah1 RCSB], [https://www.ebi.ac.uk/pdbsum/2ah1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ah1 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AAUA_ALCFA AAUA_ALCFA] Oxidizes primary aromatic amines and, more slowly, some long-chain aliphatic amines, but not methylamine or ethylamine. Uses azurin as an electron acceptor to transfer electrons from the reduced tryptophylquinone cofactor.<ref>PMID:11495996</ref> <ref>PMID:16279953</ref> <ref>PMID:8188594</ref> <ref>PMID:7876189</ref> <ref>PMID:17087503</ref> <ref>PMID:17005560</ref> <ref>PMID:16614214</ref>
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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/2ah1_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=2ah1 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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We present an atomic-level description of the reaction chemistry of an enzyme-catalyzed reaction dominated by proton tunneling. By solving structures of reaction intermediates at near-atomic resolution, we have identified the reaction pathway for tryptamine oxidation by aromatic amine dehydrogenase. Combining experiment and computer simulation, we show proton transfer occurs predominantly to oxygen O2 of Asp(128)beta in a reaction dominated by tunneling over approximately 0.6 angstroms. The role of long-range coupled motions in promoting tunneling is controversial. We show that, in this enzyme system, tunneling is promoted by a short-range motion modulating proton-acceptor distance and no long-range coupled motion is required.
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==About this Structure==
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Atomic description of an enzyme reaction dominated by proton tunneling.,Masgrau L, Roujeinikova A, Johannissen LO, Hothi P, Basran J, Ranaghan KE, Mulholland AJ, Sutcliffe MJ, Scrutton NS, Leys D Science. 2006 Apr 14;312(5771):237-41. PMID:16614214<ref>PMID:16614214</ref>
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2AH1 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Alcaligenes_faecalis Alcaligenes faecalis]. Active as [http://en.wikipedia.org/wiki/Aralkylamine_dehydrogenase Aralkylamine dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.4.99.4 1.4.99.4] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2AH1 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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Atomic description of an enzyme reaction dominated by proton tunneling., Masgrau L, Roujeinikova A, Johannissen LO, Hothi P, Basran J, Ranaghan KE, Mulholland AJ, Sutcliffe MJ, Scrutton NS, Leys D, Science. 2006 Apr 14;312(5771):237-41. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16614214 16614214]
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</div>
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[[Category: Alcaligenes faecalis]]
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<div class="pdbe-citations 2ah1" style="background-color:#fffaf0;"></div>
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[[Category: Aralkylamine dehydrogenase]]
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[[Category: Protein complex]]
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[[Category: Basran, J.]]
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[[Category: Hothi, P.]]
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[[Category: Johannissen, L.O.]]
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[[Category: Leys, D.]]
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[[Category: Masgrau, L.]]
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[[Category: Mulholland, A.J.]]
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[[Category: Ranaghan, K.E.]]
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[[Category: Roujeinikova, A.]]
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[[Category: Scrutton, N.S.]]
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[[Category: Sutcliffe, M.J.]]
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[[Category: oxidoreductase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 08:07:11 2007''
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==See Also==
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*[[Aromatic amine dehydrogenase 3D structures|Aromatic amine dehydrogenase 3D structures]]
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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: Alcaligenes faecalis]]
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[[Category: Large Structures]]
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[[Category: Basran J]]
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[[Category: Hothi P]]
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[[Category: Johannissen LO]]
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[[Category: Leys D]]
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[[Category: Masgrau L]]
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[[Category: Mulholland AJ]]
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[[Category: Ranaghan KE]]
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[[Category: Roujeinikova A]]
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[[Category: Scrutton NS]]
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[[Category: Sutcliffe MJ]]

Current revision

Crystal structure of aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis

PDB ID 2ah1

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