3h2f: Difference between revisions

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-{{Seed}}
-[[Image:3h2f.jpg|left|200px]]
-<!--
+==Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase==
-The line below this paragraph, containing "STRUCTURE_3h2f", creates the "Structure Box" on the page.
+<StructureSection load='3h2f' size='340' side='right'caption='[[3h2f]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[3h2f]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_anthracis_str._A2012 Bacillus anthracis str. A2012]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3H2F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3H2F FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=B60:2-AMINO-8-METHYL-7,8-DIHYDROPTERIDIN-4(3H)-ONE'>B60</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-{{STRUCTURE_3h2f|  PDB=3h2f  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3h2f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h2f OCA], [https://pdbe.org/3h2f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3h2f RCSB], [https://www.ebi.ac.uk/pdbsum/3h2f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3h2f ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q81VW8_BACAN Q81VW8_BACAN]
+== 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/h2/3h2f_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=3h2f ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Dihydropteroate synthase (DHPS) is a key enzyme in bacterial folate synthesis and the target of the sulfonamide class of antibacterials. Resistance and toxicities associated with sulfonamides have led to a decrease in their clinical use. Compounds that bind to the pterin binding site of DHPS, as opposed to the p-amino benzoic acid (pABA) binding site targeted by the sulfonamide agents, are anticipated to bypass sulfonamide resistance. To identify such inhibitors and map the pterin binding pocket, we have performed virtual screening, synthetic, and structural studies using Bacillus anthracis DHPS. Several compounds with inhibitory activity have been identified, and crystal structures have been determined that show how the compounds engage the pterin site. The structural studies identify the key binding elements and have been used to generate a structure-activity based pharmacophore map that will facilitate the development of the next generation of DHPS inhibitors which specifically target the pterin site.
-===Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase===
+Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase.,Hevener KE, Yun MK, Qi J, Kerr ID, Babaoglu K, Hurdle JG, Balakrishna K, White SW, Lee RE J Med Chem. 2009 Nov 9. PMID:19899766<ref>PMID:19899766</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3h2f" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_19899766}}, adds the Publication Abstract to the page
+*[[Dihydropteroate synthase 3D structures|Dihydropteroate synthase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 19899766 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_19899766}}
+__TOC__
+</StructureSection>
-==About this Structure==
+[[Category: Bacillus anthracis str. A2012]]
-H2F is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Bacillus_anthracis_str._a2012 Bacillus anthracis str. a2012]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3H2F OCA].
+[[Category: Large Structures]]
+[[Category: White SW]]
-==Reference==
+[[Category: Yun M-K]]
-<ref group="xtra">PMID:19899766</ref><references group="xtra"/>
-[[Category: Bacillus anthracis str. a2012]]
-[[Category: Dihydropteroate synthase]]
-[[Category: White, S W.]]
-[[Category: Yun, M K.]]
-[[Category: Anthracis]]
-[[Category: Dihydropteroate]]
-[[Category: Folate biosynthesis]]
-[[Category: Pterine]]
-[[Category: Transferase]]
-[[Category: Transferase/transferase inhibitor complex]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Dec  9 14:59:17 2009''