2bt3

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==Overview==
==Overview==
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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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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 Structure==
==About this Structure==
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[[Category: Arthrobacter globiformis]]
[[Category: Arthrobacter globiformis]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: Contakes, S.M.]]
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[[Category: Contakes, S M.]]
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[[Category: Dooley, D.M.]]
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[[Category: Dooley, D M.]]
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[[Category: Duff, A.P.]]
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[[Category: Duff, A P.]]
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[[Category: Dunn, A.R.]]
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[[Category: Dunn, A R.]]
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[[Category: Freeman, H.C.]]
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[[Category: Freeman, H C.]]
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[[Category: Gray, H.B.]]
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[[Category: Gray, H B.]]
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[[Category: Guss, J.M.]]
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[[Category: Guss, J M.]]
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[[Category: Halpern-Manners, N.W.]]
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[[Category: Halpern-Manners, N W.]]
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[[Category: Juda, G.A.]]
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[[Category: Juda, G A.]]
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[[Category: Langley, D.B.]]
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[[Category: Langley, D B.]]
[[Category: CU]]
[[Category: CU]]
[[Category: GOL]]
[[Category: GOL]]
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[[Category: tpq]]
[[Category: tpq]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 10:27:33 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:41:20 2008''

Revision as of 14:41, 21 February 2008


2bt3, resolution 1.73Å

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

Overview

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 Structure

2BT3 is a Single protein structure of sequence from Arthrobacter globiformis with , , , and as ligands. Active as Amine oxidase (copper-containing), with EC number 1.4.3.6 Known structural/functional Site: . Full crystallographic information is available from 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:16157884

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