2bt3: Difference between revisions

Revision as of 20:45, 3 May 2008

AGAO IN COMPLEX WITH RUTHENIUM-C4-WIRE AT 1.73 ANGSTROMS

OverviewOverview

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.

About this StructureAbout this Structure

2BT3 is a Single protein structure of sequence from Arthrobacter globiformis. Full crystallographic information is available from OCA.

ReferenceReference

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 Page seeded by OCA on Sat May 3 20:45:43 2008

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OCA

@@ Line 1: / Line 1: @@
 [[Image:2bt3.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2bt3 |SIZE=350|CAPTION= <scene name='initialview01'>2bt3</scene>, resolution 1.73&Aring;
+The line below this paragraph, containing "STRUCTURE_2bt3", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=AC1:Gol+Binding+Site+For+Chain+A'>AC1</scene>
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <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,1&#39;H-2,2&#39;-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1&#39;~]{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>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[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] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_2bt3|  PDB=2bt3  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bt3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bt3 OCA], [http://www.ebi.ac.uk/pdbsum/2bt3 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bt3 RCSB]</span>
-}}
 '''AGAO IN COMPLEX WITH RUTHENIUM-C4-WIRE AT 1.73 ANGSTROMS'''
@@ Line 23: / Line 20: @@
 ==Reference==
 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://www.ncbi.nlm.nih.gov/pubmed/16157884 16157884]
-[[Category: Amine oxidase (copper-containing)]]
 [[Category: Arthrobacter globiformis]]
 [[Category: Single protein]]
@@ Line 37: / Line 33: @@
 [[Category: Langley, D B.]]
 [[Category: 3d-structure]]
-[[Category: amine oxidase]]
+[[Category: Amine oxidase]]
-[[Category: arthrobacter globiformi]]
+[[Category: Arthrobacter globiformi]]
-[[Category: competitive inhibition]]
+[[Category: Competitive inhibition]]
-[[Category: copper]]
+[[Category: Copper]]
-[[Category: copper containing]]
+[[Category: Copper containing]]
-[[Category: oxidoreductase]]
+[[Category: Oxidoreductase]]
-[[Category: quinone]]
+[[Category: Quinone]]
-[[Category: ruthenium diimine wire]]
+[[Category: Ruthenium diimine wire]]
-[[Category: tpq]]
+[[Category: Tpq]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 20:45:43 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:11:22 2008''