1wxg: Difference between revisions

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-[[Image:1wxg.gif|left|200px]]<br /><applet load="1wxg" size="350" color="white" frame="true" align="right" spinBox="true"
-caption="1wxg, resolution 1.9&Aring;" />
-'''E.coli NAD Synthetase, DND'''<br />
-==Overview==
+==E.coli NAD Synthetase, DND==
-Nicotinamide adenine dinucleotide synthetases (NADS) catalyze the amidation of nicotinic acid adenine dinucleotide (NAAD) to yield the enzyme cofactor nicotinamide adenine dinucleotide (NAD). Here we describe the crystal structures of the ammonia-dependent homodimeric NADS from Escherichia coli alone and in complex with natural substrates and with the reaction product NAD. The structures disclosed two NAAD/NAD binding sites at the dimer interface and an adenosine triphosphate (ATP) binding site within each subunit. Comparison with the Bacillus subtilis NADS showed pronounced chemical differences in the NAAD/NAD binding sites and less prominent differences in the ATP binding pockets. In addition, the E. coli NADS structures revealed unexpected dynamical rearrangements in the NAAD/NAD binding pocket upon NAAD-to-NAD conversion, which define a catalysis state and a substrate/product exchange state. The two states are adopted by concerted movement of the nicotinysyl moieties of NAAD and NAD, Phe-170, and residues 224-228, which may be triggered by differential coordination of a magnesium ion to NAAD and NAD. Phylogenetic structure comparisons suggest that the present results are relevant for designing species-specific antibiotics.
+<StructureSection load='1wxg' size='340' side='right'caption='[[1wxg]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[1wxg]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WXG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1WXG FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DND:NICOTINIC+ACID+ADENINE+DINUCLEOTIDE'>DND</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1wxg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1wxg OCA], [https://pdbe.org/1wxg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1wxg RCSB], [https://www.ebi.ac.uk/pdbsum/1wxg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1wxg ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/NADE_ECOLI NADE_ECOLI] Catalyzes a key step in NAD biosynthesis, transforming deamido-NAD into NAD by a two-step reaction.
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wx/1wxg_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</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=1wxg ConSurf].
+<div style="clear:both"></div>
-==About this Structure==
+==See Also==
-WXG is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] with <scene name='pdbligand=MG:'>MG</scene> and <scene name='pdbligand=DND:'>DND</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/NAD(+)_synthase NAD(+) synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.1.5 6.3.1.5] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WXG OCA].
+*[[NAD synthase|NAD synthase]]
+__TOC__
-==Reference==
+</StructureSection>
-Structures of Escherichia coli NAD synthetase with substrates and products reveal mechanistic rearrangements., Jauch R, Humm A, Huber R, Wahl MC, J Biol Chem. 2005 Apr 15;280(15):15131-40. Epub 2005 Feb 7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15699042 15699042]
 [[Category: Escherichia coli]]
-[[Category: NAD(+) synthase]]
+[[Category: Large Structures]]
-[[Category: Single protein]]
+[[Category: Huber R]]
-[[Category: Huber, R.]]
+[[Category: Humm A]]
-[[Category: Humm, A.]]
+[[Category: Jauch R]]
-[[Category: Jauch, R.]]
+[[Category: Wahl MC]]
-[[Category: Wahl, M C.]]
-[[Category: DND]]
-[[Category: MG]]
-[[Category: e coli]]
-[[Category: nad]]
-[[Category: nade]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:49:07 2008''