1u68

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{{Seed}}
 
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[[Image:1u68.png|left|200px]]
 
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==DHNA 7,8 DIHYDRONEOPTERIN COMPLEX==
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The line below this paragraph, containing "STRUCTURE_1u68", creates the "Structure Box" on the page.
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<StructureSection load='1u68' size='340' side='right'caption='[[1u68]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1u68]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1rr5 1rr5]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U68 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1U68 FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 2.4&#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=NPR:2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE'>NPR</scene></td></tr>
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{{STRUCTURE_1u68| PDB=1u68 | SCENE= }}
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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=1u68 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u68 OCA], [https://pdbe.org/1u68 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1u68 RCSB], [https://www.ebi.ac.uk/pdbsum/1u68 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1u68 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/FOLB_STAAU FOLB_STAAU] Catalyzes the conversion of 7,8-dihydroneopterin to 6-hydroxymethyl-7,8-dihydropterin.
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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/u6/1u68_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=1u68 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Potent inhibitors of 7,8-dihydroneopterin aldolase (DHNA; EC 4.1.2.25) have been discovered using CrystaLEAD X-ray crystallographic high-throughput screening followed by structure-directed optimization. Screening of a 10 000 compound random library provided several low affinity leads and their corresponding X-ray crystal structures bound to the enzyme. The presence of a common structural feature in each of the leads suggested a strategy for the construction of a directed library of approximately 1000 compounds that were screened for inhibitory activity in a traditional enzyme assay. Several lead compounds with IC(50) values of about 1 microM against DHNA were identified, and crystal structures of their enzyme-bound complexes were obtained by cocrystallization. Structure-directed optimization of one of the leads thus identified afforded potent inhibitors with submicromolar IC(50) values.
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===DHNA 7,8 DIHYDRONEOPTERIN COMPLEX===
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Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.,Sanders WJ, Nienaber VL, Lerner CG, McCall JO, Merrick SM, Swanson SJ, Harlan JE, Stoll VS, Stamper GF, Betz SF, Condroski KR, Meadows RP, Severin JM, Walter KA, Magdalinos P, Jakob CG, Wagner R, Beutel BA J Med Chem. 2004 Mar 25;47(7):1709-18. PMID:15027862<ref>PMID:15027862</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 1u68" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_15027862}}, adds the Publication Abstract to the page
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*[[Aldolase 3D structures|Aldolase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 15027862 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_15027862}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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1U68 is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1rr5 1rr5]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U68 OCA].
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==Reference==
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<ref group="xtra">PMID:15027862</ref><references group="xtra"/>
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[[Category: Dihydroneopterin aldolase]]
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[[Category: Staphylococcus aureus]]
[[Category: Staphylococcus aureus]]
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[[Category: Betz, S F.]]
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[[Category: Betz SF]]
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[[Category: Beutel, B A.]]
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[[Category: Beutel BA]]
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[[Category: Condroski, K R.]]
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[[Category: Condroski KR]]
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[[Category: Harlan, J E.]]
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[[Category: Harlan JE]]
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[[Category: Jakob, C G.]]
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[[Category: Jakob CG]]
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[[Category: Lerner, C G.]]
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[[Category: Lerner CG]]
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[[Category: Magdalinos, P.]]
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[[Category: Magdalinos P]]
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[[Category: McCall, J O.]]
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[[Category: McCall JO]]
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[[Category: Meadows, R P.]]
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[[Category: Meadows RP]]
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[[Category: Merrick, S M.]]
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[[Category: Merrick SM]]
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[[Category: Nienaber, V L.]]
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[[Category: Nienaber VL]]
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[[Category: Sanders, W J.]]
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[[Category: Sanders WJ]]
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[[Category: Severin, J M.]]
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[[Category: Severin JM]]
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[[Category: Stamper, G F.]]
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[[Category: Stamper GF]]
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[[Category: Stoll, V S.]]
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[[Category: Stoll VS]]
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[[Category: Swanson, S J.]]
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[[Category: Swanson SJ]]
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[[Category: Wagner, R.]]
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[[Category: Wagner R]]
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[[Category: Walter, K A.]]
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[[Category: Walter KA]]
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[[Category: 7,8 dihydroneopterin]]
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[[Category: Dhna]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 08:29:41 2009''
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Current revision

DHNA 7,8 DIHYDRONEOPTERIN COMPLEX

PDB ID 1u68

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