1s3u

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[[Image:1s3u.png|left|200px]]
 
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==Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry==
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The line below this paragraph, containing "STRUCTURE_1s3u", creates the "Structure Box" on the page.
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<StructureSection load='1s3u' size='340' side='right'caption='[[1s3u]], [[Resolution|resolution]] 2.50&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'>[[1s3u]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1S3U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1S3U 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]] 2.5&#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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TQD:(2R,6S)-6-{[METHYL(3,4,5-TRIMETHOXYPHENYL)AMINO]METHYL}-1,2,5,6,7,8-HEXAHYDROQUINAZOLINE-2,4-DIAMINE'>TQD</scene></td></tr>
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{{STRUCTURE_1s3u| PDB=1s3u | 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=1s3u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1s3u OCA], [https://pdbe.org/1s3u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1s3u RCSB], [https://www.ebi.ac.uk/pdbsum/1s3u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1s3u ProSAT]</span></td></tr>
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</table>
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===Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry===
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== Disease ==
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[https://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN] Defects in DHFR are the cause of megaloblastic anemia due to dihydrofolate reductase deficiency (DHFRD) [MIM:[https://omim.org/entry/613839 613839]. DHFRD is an inborn error of metabolism, characterized by megaloblastic anemia and/or pancytopenia, severe cerebral folate deficiency, and cerebral tetrahydrobiopterin deficiency. Clinical features include variable neurologic symptoms, ranging from severe developmental delay and generalized seizures in infancy, to childhood absence epilepsy with learning difficulties, to lack of symptoms.<ref>PMID:21310276</ref> <ref>PMID:21310277</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN] Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.<ref>PMID:21876188</ref> <ref>PMID:12096917</ref>
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The line below this paragraph, {{ABSTRACT_PUBMED_15039552}}, adds the Publication Abstract to the page
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== Evolutionary Conservation ==
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(as it appears on PubMed at http://www.pubmed.gov), where 15039552 is the PubMed ID number.
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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{{ABSTRACT_PUBMED_15039552}}
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/s3/1s3u_consurf.spt"</scriptWhenChecked>
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==About this Structure==
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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[[1s3u]] is a 1 chain structure of [[Dihydrofolate reductase]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1S3U OCA].
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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=1s3u ConSurf].
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<div style="clear:both"></div>
==See Also==
==See Also==
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*[[Dihydrofolate reductase]]
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*[[Dihydrofolate reductase 3D structures|Dihydrofolate reductase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:15039552</ref><references group="xtra"/>
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__TOC__
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[[Category: Dihydrofolate reductase]]
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Cody, V.]]
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[[Category: Large Structures]]
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[[Category: Gangjee, A.]]
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[[Category: Cody V]]
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[[Category: Luft, J R.]]
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[[Category: Gangjee A]]
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[[Category: Pangborn, W.]]
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[[Category: Luft JR]]
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[[Category: Queener, S F.]]
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[[Category: Pangborn W]]
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[[Category: Dihydrofolate reductase]]
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[[Category: Queener SF]]
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[[Category: Inhibitor complex]]
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[[Category: Oxidoreductase]]
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Current revision

Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry

PDB ID 1s3u

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