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2agx

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[[Image:2agx.gif|left|200px]]
 
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{{Structure
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==Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. P212121 form==
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|PDB= 2agx |SIZE=350|CAPTION= <scene name='initialview01'>2agx</scene>, resolution 2.200&Aring;
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<StructureSection load='2agx' size='340' side='right'caption='[[2agx]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=TRQ:2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC+ACID'>TRQ</scene>, <scene name='pdbligand=TSH:2-(1H-INDOL-3-YL)ETHANIMINE'>TSH</scene>
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<table><tr><td colspan='2'>[[2agx]] 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=2AGX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2AGX FirstGlance]. <br>
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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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]] 2.2&#8491;</td></tr>
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|GENE=
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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>, <scene name='pdbligand=TSH:2-(1H-INDOL-3-YL)ETHANIMINE'>TSH</scene></td></tr>
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|DOMAIN=
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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=2agx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2agx OCA], [https://pdbe.org/2agx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2agx RCSB], [https://www.ebi.ac.uk/pdbsum/2agx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2agx ProSAT]</span></td></tr>
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|RELATEDENTRY=[[2agl|2AGL]], [[2agu|2AGU]], [[2agw|2AGW]], [[2agy|2AGY]], [[2agz|2AGZ]], [[2ah0|2AH0]], [[2ah1|2AH1]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2agx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2agx OCA], [http://www.ebi.ac.uk/pdbsum/2agx PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2agx RCSB]</span>
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== Function ==
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}}
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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/ag/2agx_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=2agx ConSurf].
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<div style="clear:both"></div>
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'''Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. P212121 form'''
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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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==Overview==
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<references/>
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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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__TOC__
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</StructureSection>
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==About this Structure==
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2AGX is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Alcaligenes_faecalis Alcaligenes faecalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AGX OCA].
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==Reference==
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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://www.ncbi.nlm.nih.gov/pubmed/16614214 16614214]
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[[Category: Alcaligenes faecalis]]
[[Category: Alcaligenes faecalis]]
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[[Category: Aralkylamine dehydrogenase]]
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[[Category: Large Structures]]
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[[Category: Protein complex]]
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[[Category: Basran J]]
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[[Category: Basran, J.]]
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[[Category: Hothi P]]
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[[Category: Hothi, P.]]
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[[Category: Johannissen LO]]
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[[Category: Johannissen, L O.]]
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[[Category: Leys D]]
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[[Category: Leys, D.]]
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[[Category: Masgrau L]]
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[[Category: Masgrau, L.]]
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[[Category: Mulholland AJ]]
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[[Category: Mulholland, A J.]]
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[[Category: Ranaghan KE]]
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[[Category: Ranaghan, K E.]]
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[[Category: Roujeinikova A]]
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[[Category: Roujeinikova, A.]]
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[[Category: Scrutton NS]]
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[[Category: Scrutton, N S.]]
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[[Category: Sutcliffe MJ]]
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[[Category: Sutcliffe, M J.]]
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[[Category: oxidoreductase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:52:30 2008''
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Current revision

Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. P212121 form

PDB ID 2agx

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