1mzs

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[[Image:1mzs.jpg|left|200px]]
[[Image:1mzs.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1mzs |SIZE=350|CAPTION= <scene name='initialview01'>1mzs</scene>, resolution 2.1&Aring;
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The line below this paragraph, containing "STRUCTURE_1mzs", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=669:1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC+ACID'>669</scene>, <scene name='pdbligand=OCS:CYSTEINESULFONIC+ACID'>OCS</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-ketoacyl-acyl-carrier-protein_synthase_I Beta-ketoacyl-acyl-carrier-protein synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1mzs| PDB=1mzs | SCENE= }}
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|RELATEDENTRY=[[1hn9|1hn9]], [[1hnd|1hnd]], [[1hnh|1hnh]], [[1hnj|1hnj]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1mzs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mzs OCA], [http://www.ebi.ac.uk/pdbsum/1mzs PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1mzs RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor'''
'''CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor'''
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[[Category: Sham, K.]]
[[Category: Sham, K.]]
[[Category: Silverman, C.]]
[[Category: Silverman, C.]]
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[[Category: fabh]]
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[[Category: Fabh]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 01:54:44 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:23:21 2008''
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Revision as of 22:54, 2 May 2008

Template:STRUCTURE 1mzs

CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor


Overview

The first cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor is reported. The inhibitor was obtained by rational modification of a high throughput screening lead with the aid of a S. pneumoniae FabH homology model. This homology model was used to design analogues that would have both high affinity for the enzyme and appropriate aqueous solubility to facilitate cocrystallization studies.

About this Structure

1MZS is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

First X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling., Daines RA, Pendrak I, Sham K, Van Aller GS, Konstantinidis AK, Lonsdale JT, Janson CA, Qiu X, Brandt M, Khandekar SS, Silverman C, Head MS, J Med Chem. 2003 Jan 2;46(1):5-8. PMID:12502353 Page seeded by OCA on Sat May 3 01:54:44 2008

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