2bed

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(New page: 200px<br /><applet load="2bed" size="450" color="white" frame="true" align="right" spinBox="true" caption="2bed, resolution 2.700&Aring;" /> '''Structure of FPT bo...)
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[[Image:2bed.gif|left|200px]]<br /><applet load="2bed" size="350" color="white" frame="true" align="right" spinBox="true"
caption="2bed, resolution 2.700&Aring;" />
caption="2bed, resolution 2.700&Aring;" />
'''Structure of FPT bound to inhibitor SCH207736'''<br />
'''Structure of FPT bound to inhibitor SCH207736'''<br />
==Overview==
==Overview==
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Benzocycloheptapyridine tricyclic compounds with piperazine or substituted, piperidine moieties extending either from the 5- or 6-position of the, tricyclic bridgehead exhibited enhanced FTase activity: this resulted from, favorable binding of the ligand nitrogen with the catalytic zinc found in, the FTase. A single isomer at C-11 with piperazine adduct extending from, the 6-position, compound 24, exhibited excellent FTase activity with IC50, = 0.007 microM, soft agar IC50 = 72 nM, and Rat AUC(PO, 10 mpk) = 4.0, microM x h. X-ray of, (-)-[8-chloro-6-(1-piperazinyl)-1H-benzo[5,6]]cyclohepta[1,2-b]pyridine-11, -yl]-1-(methylsulfonyl)piperidine 24 bound to Ftase revealed favorable, interaction between piperazine nitrogen and catalytic zinc atom.
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Benzocycloheptapyridine tricyclic compounds with piperazine or substituted piperidine moieties extending either from the 5- or 6-position of the tricyclic bridgehead exhibited enhanced FTase activity: this resulted from favorable binding of the ligand nitrogen with the catalytic zinc found in the FTase. A single isomer at C-11 with piperazine adduct extending from the 6-position, compound 24, exhibited excellent FTase activity with IC50 = 0.007 microM, soft agar IC50 = 72 nM, and Rat AUC(PO, 10 mpk) = 4.0 microM x h. X-ray of (-)-[8-chloro-6-(1-piperazinyl)-1H-benzo[5,6]]cyclohepta[1,2-b]pyridine-11 -yl]-1-(methylsulfonyl)piperidine 24 bound to Ftase revealed favorable interaction between piperazine nitrogen and catalytic zinc atom.
==About this Structure==
==About this Structure==
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2BED is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus] with ZN, FPP and 736 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Protein_farnesyltransferase Protein farnesyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.58 2.5.1.58] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2BED OCA].
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2BED is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=FPP:'>FPP</scene> and <scene name='pdbligand=736:'>736</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Protein_farnesyltransferase Protein farnesyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.58 2.5.1.58] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BED OCA].
==Reference==
==Reference==
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[[Category: ptase]]
[[Category: ptase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 08:45:45 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:36:54 2008''

Revision as of 14:36, 21 February 2008

Image:2bed.gif

2bed, resolution 2.700Å

Drag the structure with the mouse to rotate

Structure of FPT bound to inhibitor SCH207736

Overview

Benzocycloheptapyridine tricyclic compounds with piperazine or substituted piperidine moieties extending either from the 5- or 6-position of the tricyclic bridgehead exhibited enhanced FTase activity: this resulted from favorable binding of the ligand nitrogen with the catalytic zinc found in the FTase. A single isomer at C-11 with piperazine adduct extending from the 6-position, compound 24, exhibited excellent FTase activity with IC50 = 0.007 microM, soft agar IC50 = 72 nM, and Rat AUC(PO, 10 mpk) = 4.0 microM x h. X-ray of (-)-[8-chloro-6-(1-piperazinyl)-1H-benzo[5,6]]cyclohepta[1,2-b]pyridine-11 -yl]-1-(methylsulfonyl)piperidine 24 bound to Ftase revealed favorable interaction between piperazine nitrogen and catalytic zinc atom.

About this Structure

2BED is a Protein complex structure of sequences from Rattus norvegicus with , and as ligands. Active as Protein farnesyltransferase, with EC number 2.5.1.58 Full crystallographic information is available from OCA.

Reference

Enhanced FTase activity achieved via piperazine interaction with catalytic zinc., Njoroge FG, Vibulbhan B, Pinto P, Strickland C, Bishop WR, Nomeir A, Girijavallabhan V, Bioorg Med Chem Lett. 2006 Feb 15;16(4):984-8. Epub 2005 Nov 16. PMID:16298128

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