1xai

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[[Image:1xai.gif|left|200px]]
[[Image:1xai.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1xai |SIZE=350|CAPTION= <scene name='initialview01'>1xai</scene>, resolution 2.30&Aring;
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The line below this paragraph, containing "STRUCTURE_1xai", 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=CRB:[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC+ACID'>CRB</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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/3-dehydroquinate_synthase 3-dehydroquinate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.3.4 4.2.3.4] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= aroB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 Staphylococcus aureus])
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-->
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|DOMAIN=
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{{STRUCTURE_1xai| PDB=1xai | SCENE= }}
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|RELATEDENTRY=[[1nr5|1NR5]], [[1nrx|1NRX]], [[1nve|1NVE]], [[1nvd|1NVD]], [[1nvb|1NVB]], [[1nua|1NUA]], [[1nva|1NVA]], [[1nvf|1NVF]], [[1xag|1XAG]], [[1xah|1XAH]], [[1xaj|1XAJ]], [[1xal|1XAL]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1xai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xai OCA], [http://www.ebi.ac.uk/pdbsum/1xai PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1xai RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE'''
'''CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE'''
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[[Category: Ren, J.]]
[[Category: Ren, J.]]
[[Category: Stammers, D K.]]
[[Category: Stammers, D K.]]
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[[Category: aromatic amino acid biosynthesis]]
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[[Category: Aromatic amino acid biosynthesis]]
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[[Category: closed form]]
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[[Category: Closed form]]
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[[Category: cyclase]]
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[[Category: Cyclase]]
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[[Category: dhq]]
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[[Category: Dhq]]
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[[Category: domain movement]]
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[[Category: Domain movement]]
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[[Category: form b]]
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[[Category: Form b]]
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[[Category: lyase]]
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[[Category: Lyase]]
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[[Category: sadhq]]
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[[Category: Sadhq]]
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[[Category: shikimate pathway]]
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[[Category: Shikimate pathway]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 14:46:57 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:46:59 2008''
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Revision as of 11:47, 3 May 2008

Template:STRUCTURE 1xai

CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE


Overview

Dehydroquinate synthase (DHQS) is a potential target for the development of novel broad-spectrum antimicrobial drugs, active against both prokaryotes and lower eukaryotes. Structures have been reported for Aspergillus nidulans DHQS (AnDHQS) in complexes with a range of ligands. Analysis of these AnDHQS structures showed that a large-scale domain movement occurs during the normal catalytic cycle, with a complex series of structural elements propagating substrate binding-induced conformational changes away from the active site to distal locations. Compared to corresponding fungal enzymes, DHQS from bacterial species are both mono-functional and significantly smaller. We have therefore determined the structure of Staphylococcus aureus DHQS (SaDHQS) in five liganded states, allowing comparison of ligand-induced conformational changes and mechanisms of domain closure between fungal and bacterial enzymes. This comparative analysis shows that substrate binding initiates a large-scale domain closure in both species' DHQS and that the active site stereochemistry, of the catalytically competent closed-form enzyme thus produced, is also highly conserved. However, comparison of AnDHQS and SaDHQS open-form structures, and analysis of the putative dynamic processes by which the transition to the closed-form states are made, shows a far lower degree of similarity, indicating a significant structural divergence. As a result, both the nature of the propagation of conformational change and the mechanical systems involved in this propagation are quite different between the DHQSs from the two species.

About this Structure

1XAI is a Single protein structure of sequence from Staphylococcus aureus. Full crystallographic information is available from OCA.

Reference

Comparison of ligand-induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases., Nichols CE, Ren J, Leslie K, Dhaliwal B, Lockyer M, Charles I, Hawkins AR, Stammers DK, J Mol Biol. 2004 Oct 22;343(3):533-46. PMID:15465043 Page seeded by OCA on Sat May 3 14:46:57 2008

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