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2bt3

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[[Image:2bt3.gif|left|200px]]<br />
 
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<applet load="2bt3" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="2bt3, resolution 1.73&Aring;" />
 
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'''AGAO IN COMPLEX WITH RUTHENIUM-C4-WIRE AT 1.73 ANGSTROMS'''<br />
 
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==Overview==
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==AGAO in complex with Ruthenium-C4-wire at 1.73 angstroms==
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Molecular wires comprising a Ru(II)- or Re(I)-complex head group, an, aromatic tail group, and an alkane linker reversibly inhibit the activity, of the copper amine oxidase from Arthrobacter globiformis (AGAO), with, K(i) values between 6 muM and 37 nM. In the crystal structure of a, Ru(II)-wire:AGAO conjugate, the wire occupies the AGAO active-site, substrate access channel, the trihydroxyphenylalanine quinone cofactor is, ordered in the "off-Cu" position with its reactive carbonyl oriented, toward the inhibitor, and the "gate" residue, Tyr-296, is in the "open", position. Head groups, tail-group substituents, and linker lengths all, influence wire-binding interactions with the enzyme.
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<StructureSection load='2bt3' size='340' side='right'caption='[[2bt3]], [[Resolution|resolution]] 1.73&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2bt3]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Arthrobacter_globiformis Arthrobacter globiformis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BT3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BT3 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]] 1.73&#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=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=R4A:BIS[1H,1H-2,2-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1~]{3-[4-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)BUTOXY]-N,N-DIMETHYLANILINATO(2-)}RUTHENIUM'>R4A</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TPQ:5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-1,4-BENZOQUINONE'>TPQ</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=2bt3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bt3 OCA], [https://pdbe.org/2bt3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bt3 RCSB], [https://www.ebi.ac.uk/pdbsum/2bt3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bt3 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PAOX_ARTGO PAOX_ARTGO]
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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/bt/2bt3_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=2bt3 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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Molecular wires comprising a Ru(II)- or Re(I)-complex head group, an aromatic tail group, and an alkane linker reversibly inhibit the activity of the copper amine oxidase from Arthrobacter globiformis (AGAO), with K(i) values between 6 muM and 37 nM. In the crystal structure of a Ru(II)-wire:AGAO conjugate, the wire occupies the AGAO active-site substrate access channel, the trihydroxyphenylalanine quinone cofactor is ordered in the "off-Cu" position with its reactive carbonyl oriented toward the inhibitor, and the "gate" residue, Tyr-296, is in the "open" position. Head groups, tail-group substituents, and linker lengths all influence wire-binding interactions with the enzyme.
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==About this Structure==
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Reversible inhibition of copper amine oxidase activity by channel-blocking ruthenium(II) and rhenium(I) molecular wires.,Contakes SM, Juda GA, Langley DB, Halpern-Manners NW, Duff AP, Dunn AR, Gray HB, Dooley DM, Guss JM, Freeman HC Proc Natl Acad Sci U S A. 2005 Sep 20;102(38):13451-6. Epub 2005 Sep 12. PMID:16157884<ref>PMID:16157884</ref>
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2BT3 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Arthrobacter_globiformis Arthrobacter globiformis]] with CU, NA, SO4, R4A and GOL as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Amine_oxidase_(copper-containing) Amine oxidase (copper-containing)]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.4.3.6 1.4.3.6]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BT3 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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Reversible inhibition of copper amine oxidase activity by channel-blocking ruthenium(II) and rhenium(I) molecular wires., Contakes SM, Juda GA, Langley DB, Halpern-Manners NW, Duff AP, Dunn AR, Gray HB, Dooley DM, Guss JM, Freeman HC, Proc Natl Acad Sci U S A. 2005 Sep 20;102(38):13451-6. Epub 2005 Sep 12. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16157884 16157884]
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</div>
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[[Category: Amine oxidase (copper-containing)]]
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<div class="pdbe-citations 2bt3" style="background-color:#fffaf0;"></div>
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[[Category: Arthrobacter globiformis]]
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[[Category: Single protein]]
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[[Category: Contakes, S.M.]]
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[[Category: Dooley, D.M.]]
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[[Category: Duff, A.P.]]
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[[Category: Dunn, A.R.]]
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[[Category: Freeman, H.C.]]
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[[Category: Gray, H.B.]]
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[[Category: Guss, J.M.]]
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[[Category: Halpern-Manners, N.W.]]
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[[Category: Juda, G.A.]]
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[[Category: Langley, D.B.]]
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[[Category: CU]]
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[[Category: GOL]]
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[[Category: NA]]
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[[Category: R4A]]
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[[Category: SO4]]
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[[Category: 3d-structure]]
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[[Category: amine oxidase]]
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[[Category: arthrobacter globiformis]]
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[[Category: competitive inhibition]]
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[[Category: copper]]
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[[Category: copper containing]]
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[[Category: oxidoreductase]]
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[[Category: quinone]]
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[[Category: ruthenium diimine wires]]
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[[Category: tpq]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 14:23:08 2007''
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==See Also==
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*[[Copper amine oxidase 3D structures|Copper amine oxidase 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: Arthrobacter globiformis]]
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[[Category: Large Structures]]
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[[Category: Contakes SM]]
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[[Category: Dooley DM]]
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[[Category: Duff AP]]
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[[Category: Dunn AR]]
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[[Category: Freeman HC]]
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[[Category: Gray HB]]
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[[Category: Guss JM]]
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[[Category: Halpern-Manners NW]]
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[[Category: Juda GA]]
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[[Category: Langley DB]]

Current revision

AGAO in complex with Ruthenium-C4-wire at 1.73 angstroms

PDB ID 2bt3

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