2fj0: Difference between revisions

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-{{Seed}}
-[[Image:2fj0.png|left|200px]]
-<!--
+==Crystal Structure of Juvenile Hormone Esterase from Manduca sexta, with OTFP covalently attached==
-The line below this paragraph, containing "STRUCTURE_2fj0", creates the "Structure Box" on the page.
+<StructureSection load='2fj0' size='340' side='right'caption='[[2fj0]], [[Resolution|resolution]] 2.70&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'>[[2fj0]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Manduca_sexta Manduca sexta]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FJ0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2FJ0 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]] 2.7&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=TFC:1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE'>TFC</scene></td></tr>
-{{STRUCTURE_2fj0|  PDB=2fj0  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2fj0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fj0 OCA], [https://pdbe.org/2fj0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2fj0 RCSB], [https://www.ebi.ac.uk/pdbsum/2fj0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2fj0 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q9GPG0_MANSE Q9GPG0_MANSE]
+== 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/fj/2fj0_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=2fj0 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Juvenile hormone (JH) is an insect hormone containing an alpha,beta-unsaturated ester consisting of a small alcohol and long, hydrophobic acid. JH degradation is required for proper insect development. One pathway of this degradation is through juvenile hormone esterase (JHE), which cleaves the JH ester bond to produce methanol and JH acid. JHE is a member of the functionally divergent alpha/beta-hydrolase family of enzymes and is a highly efficient enzyme that cleaves JH at very low in vivo concentrations. We present here a 2.7 A crystal structure of JHE from the tobacco hornworm Manduca sexta (MsJHE) in complex with the transition state analogue inhibitor 3-octylthio-1,1,1-trifluoropropan-2-one (OTFP) covalently bound to the active site. This crystal structure, the first JHE structure reported, contains a long, hydrophobic binding pocket with the solvent-inaccessible catalytic triad located at the end. The structure explains many of the interactions observed between JHE and its substrates and inhibitors, such as the preference for small alcohol groups and long hydrophobic backbones. The most potent JHE inhibitors identified to date contain a trifluoromethyl ketone (TFK) moiety and have a sulfur atom beta to the ketone. In this study, sulfur-aromatic interactions were observed between the sulfur atom of OTFP and a conserved aromatic residue in the crystal structure. Mutational analysis supported the hypothesis that these interactions contribute to the potency of sulfur-containing TFK inhibitors. Together, these results clarify the binding mechanism of JHE inhibitors and provide useful observations for the development of additional enzyme inhibitors for a variety of enzymes.
-===Crystal Structure of Juvenile Hormone Esterase from Manduca sexta, with OTFP covalently attached===
+Structural studies of a potent insect maturation inhibitor bound to the juvenile hormone esterase of Manduca sexta.,Wogulis M, Wheelock CE, Kamita SG, Hinton AC, Whetstone PA, Hammock BD, Wilson DK Biochemistry. 2006 Apr 4;45(13):4045-57. PMID:16566578<ref>PMID:16566578</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 2fj0" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_16566578}}, adds the Publication Abstract to the page
+*[[Carboxylesterase 3D structures|Carboxylesterase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 16566578 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_16566578}}
+__TOC__
+</StructureSection>
-==About this Structure==
+[[Category: Large Structures]]
-FJ0 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Trichoplusia_ni Trichoplusia ni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FJ0 OCA].
-==Reference==
-Structural studies of a potent insect maturation inhibitor bound to the juvenile hormone esterase of Manduca sexta., Wogulis M, Wheelock CE, Kamita SG, Hinton AC, Whetstone PA, Hammock BD, Wilson DK, Biochemistry. 2006 Apr 4;45(13):4045-57. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16566578 16566578]
-[[Category: Carboxylesterase]]
-[[Category: Single protein]]
-[[Category: Trichoplusia ni]]
-[[Category: Wilson, D K.]]
-[[Category: Wogulis, M.]]
-[[Category: Alpha-beta hydrolase]]
-[[Category: Esterase]]
-[[Category: Juvenile hormone]]
 [[Category: Manduca sexta]]
+[[Category: Wilson DK]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 15:28:14 2008''
+[[Category: Wogulis M]]