2bt3: Difference between revisions

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Revision as of 17:06, 20 March 2008

File:2bt3.gif

, resolution 1.73Å

Sites:

Ligands:

, , , and

Activity:

Amine oxidase (copper-containing), with EC number 1.4.3.6

Coordinates:

save as pdb, mmCIF, xml

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 Thu Mar 20 16:06:22 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-[[Image:2bt3.gif|left|200px]]<br /><applet load="2bt3" size="350" color="white" frame="true" align="right" spinBox="true"
+[[Image:2bt3.gif|left|200px]]
-caption="2bt3, resolution 1.73&Aring;" />
-'''AGAO IN COMPLEX WITH RUTHENIUM-C4-WIRE AT 1.73 ANGSTROMS'''<br />
+ {{Structure
+|PDB= 2bt3 |SIZE=350|CAPTION= <scene name='initialview01'>2bt3</scene>, resolution 1.73&Aring;
+|SITE= <scene name='pdbsite=AC1:Gol+Binding+Site+For+Chain+A'>AC1</scene>
+|LIGAND= <scene name='pdbligand=CU:COPPER+(II)+ION'>CU</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=R4A:BIS[1H,1'H-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> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
+|ACTIVITY= [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]
+|GENE=
+}}
+'''AGAO IN COMPLEX WITH RUTHENIUM-C4-WIRE AT 1.73 ANGSTROMS'''
 ==Overview==
@@ Line 7: / Line 16: @@
 ==About this Structure==
-BT3 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 <scene name='pdbligand=CU:'>CU</scene>, <scene name='pdbligand=NA:'>NA</scene>, <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=R4A:'>R4A</scene> and <scene name='pdbligand=GOL:'>GOL</scene> 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] Known structural/functional Site: <scene name='pdbsite=AC1:Gol+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BT3 OCA].
+BT3 is a [[Single protein]] structure of sequence from [http://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].
 ==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://ispc.weizmann.ac.il//pmbin/getpm?pmid=16157884 16157884]
+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]]
@@ Line 31: / Line 40: @@
 [[Category: 3d-structure]]
 [[Category: amine oxidase]]
-[[Category: arthrobacter globiformis]]
+[[Category: arthrobacter globiformi]]
 [[Category: competitive inhibition]]
 [[Category: copper]]
@@ Line 37: / Line 46: @@
 [[Category: oxidoreductase]]
 [[Category: quinone]]
-[[Category: ruthenium diimine wires]]
+[[Category: ruthenium diimine wire]]
 [[Category: tpq]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:41:20 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:06:22 2008''