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1xaj

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

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Retrieved from "http://52.214.119.220/wiki/index.php/1xaj"

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-[[Image:1xaj.gif|left|200px]]
- {{Structure
+==CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE==
-|PDB= 1xaj |SIZE=350|CAPTION= <scene name='initialview01'>1xaj</scene>, resolution 2.35&Aring;
+<StructureSection load='1xaj' size='340' side='right'caption='[[1xaj]], [[Resolution|resolution]] 2.35&Aring;' scene=''>
-|SITE=
+== Structural highlights ==
-|LIGAND= <scene name='pdbligand=CRB:[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC+ACID'>CRB</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
+<table><tr><td colspan='2'>[[1xaj]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XAJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1XAJ FirstGlance]. <br>
-|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>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.35&#8491;</td></tr>
-|GENE= aroB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 Staphylococcus aureus])
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CRB:[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC+ACID'>CRB</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-|DOMAIN=
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1xaj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xaj OCA], [https://pdbe.org/1xaj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1xaj RCSB], [https://www.ebi.ac.uk/pdbsum/1xaj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1xaj ProSAT]</span></td></tr>
-|RELATEDENTRY=[[1nr5|1NR5]], [[1nrx|1NRX]], [[1nve|1NVE]], [[1nvd|1NVD]], [[1nvb|1NVB]], [[1nua|1NUA]], [[1nva|1NVA]], [[1nvf|1NVF]], [[1xag|1XAG]], [[1xah|1XAH]], [[1xai|1XAI]], [[1xal|1XAL]]
+</table>
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1xaj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xaj OCA], [http://www.ebi.ac.uk/pdbsum/1xaj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1xaj RCSB]</span>
+== Function ==
-}}
+[https://www.uniprot.org/uniprot/AROB_STAAR AROB_STAAR]
+== Evolutionary Conservation ==
-'''CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE'''
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
-==Overview==
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/xa/1xaj_consurf.spt"</scriptWhenChecked>
-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.
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
-==About this Structure==
+  </jmolCheckbox>
-XAJ is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XAJ OCA].
+</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1xaj ConSurf].
+<div style="clear:both"></div>
-==Reference==
+__TOC__
-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:[http://www.ncbi.nlm.nih.gov/pubmed/15465043 15465043]
+</StructureSection>
-[[Category: 3-dehydroquinate synthase]]
+[[Category: Large Structures]]
-[[Category: Single protein]]
 [[Category: Staphylococcus aureus]]
-[[Category: Charles, I.]]
+[[Category: Charles I]]
-[[Category: Dhaliwal, B.]]
+[[Category: Dhaliwal B]]
-[[Category: Hawkins, A R.]]
+[[Category: Hawkins AR]]
-[[Category: Leslie, K.]]
+[[Category: Leslie K]]
-[[Category: Lockyer, M.]]
+[[Category: Lockyer M]]
-[[Category: Nichols, C E.]]
+[[Category: Nichols CE]]
-[[Category: Ren, J.]]
+[[Category: Ren J]]
-[[Category: Stammers, D K.]]
+[[Category: Stammers DK]]
-[[Category: aromatic amino acid biosynthesis]]
-[[Category: closed form]]
-[[Category: cyclase]]
-[[Category: dhq]]
-[[Category: domain movement]]
-[[Category: form b]]
-[[Category: lyase]]
-[[Category: sadhq]]
-[[Category: shikimate pathway]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:46:58 2008''

1xaj

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Current revision

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

Structural highlights

Function

Evolutionary Conservation

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