1f3e

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(New page: 200px<br /><applet load="1f3e" size="450" color="white" frame="true" align="right" spinBox="true" caption="1f3e, resolution 1.85&Aring;" /> '''A NEW TARGET FOR SHI...)
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[[Image:1f3e.jpg|left|200px]]<br /><applet load="1f3e" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1f3e, resolution 1.85&Aring;" />
 
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'''A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOGRAPHIC STUDIES OF INHIBITORS OF TRNA-GUANINE TRANSGLYCOSYLASE'''<br />
 
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==Overview==
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==A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOGRAPHIC STUDIES OF INHIBITORS OF TRNA-GUANINE TRANSGLYCOSYLASE==
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Eubacterial tRNA-guanine transglycosylase (TGT) is involved in the, hyper-modification of cognate tRNAs leading to the exchange of G34 at the, wobble position in the anticodon loop by preQ1, (2-amino-5-(aminomethyl)pyrrolo[2,3-d]pyrimidin-4(3H)-one) as part of the, biosynthesis of queuine (Q). Mutation of the tgt gene in Shigella flexneri, results in a significant loss of pathogenicity of the bacterium, revealing, TGT as a new target for the design of potent drugs against Shigellosis., The X-ray structure of Zymomonas mobilis TGT in complex with preQ1 was, used to search for new putative inhibitors with the computer program LUDI., An initial screen of the Available Chemical Directory, a database compiled, from commercially available compounds, suggested several hits. Of these, 4-aminophthalhydrazide (APH) showed an inhibition constant in the low, micromolar range. The 1.95 A crystal structure of APH in complex with Z., mobilis TGT served as a starting point for further modification of this, initial lead.
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<StructureSection load='1f3e' size='340' side='right'caption='[[1f3e]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1f3e]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Zymomonas_mobilis Zymomonas mobilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1F3E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1F3E FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.85&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DPZ:3,5-DIAMINOPHTHALHYDRAZIDE'>DPZ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1f3e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1f3e OCA], [https://pdbe.org/1f3e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1f3e RCSB], [https://www.ebi.ac.uk/pdbsum/1f3e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1f3e ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TGT_ZYMMO TGT_ZYMMO] Exchanges the guanine residue with 7-aminomethyl-7-deazaguanine in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr). After this exchange, a cyclopentendiol moiety is attached to the 7-aminomethyl group of 7-deazaguanine, resulting in the hypermodified nucleoside queuosine (Q) (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine).[HAMAP-Rule:MF_00168]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f3/1f3e_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=1f3e ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1F3E is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Zymomonas_mobilis Zymomonas mobilis] with ZN and DPZ as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Queuine_tRNA-ribosyltransferase Queuine tRNA-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.29 2.4.2.29] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1F3E OCA].
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*[[TRNA-guanine transglycosylase 3D structures|TRNA-guanine transglycosylase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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A new target for shigellosis: rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase., Gradler U, Gerber HD, Goodenough-Lashua DM, Garcia GA, Ficner R, Reuter K, Stubbs MT, Klebe G, J Mol Biol. 2001 Feb 23;306(3):455-67. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11178905 11178905]
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[[Category: Large Structures]]
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[[Category: Queuine tRNA-ribosyltransferase]]
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[[Category: Single protein]]
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[[Category: Zymomonas mobilis]]
[[Category: Zymomonas mobilis]]
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[[Category: Ficner, R.]]
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[[Category: Ficner R]]
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[[Category: Garcia, G.A.G.]]
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[[Category: Garcia GAG]]
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[[Category: Gerber, H.D.]]
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[[Category: Gerber H-D]]
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[[Category: Goodenough-Lashua, D.M.]]
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[[Category: Goodenough-Lashua DM]]
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[[Category: Graedler, U.]]
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[[Category: Graedler U]]
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[[Category: Klebe, G.]]
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[[Category: Klebe G]]
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[[Category: Reuter, K.]]
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[[Category: Reuter K]]
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[[Category: Stubbs, M.T.]]
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[[Category: Stubbs MT]]
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[[Category: DPZ]]
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[[Category: ZN]]
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[[Category: glycosyltransferase]]
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[[Category: trna-modifying enzyme]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 14:34:43 2007''
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Current revision

A NEW TARGET FOR SHIGELLOSIS: RATIONAL DESIGN AND CRYSTALLOGRAPHIC STUDIES OF INHIBITORS OF TRNA-GUANINE TRANSGLYCOSYLASE

PDB ID 1f3e

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