1h60: Difference between revisions

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-{{Seed}}
-[[Image:1h60.png|left|200px]]
-<!--
+==Structure of Pentaerythritol Tetranitrate Reductase in complex with progesterone==
-The line below this paragraph, containing "STRUCTURE_1h60", creates the "Structure Box" on the page.
+<StructureSection load='1h60' size='340' side='right'caption='[[1h60]], [[Resolution|resolution]] 1.60&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'>[[1h60]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterobacter_cloacae Enterobacter cloacae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H60 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1H60 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]] 1.6&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=STR:PROGESTERONE'>STR</scene></td></tr>
-{{STRUCTURE_1h60|  PDB=1h60  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1h60 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1h60 OCA], [https://pdbe.org/1h60 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1h60 RCSB], [https://www.ebi.ac.uk/pdbsum/1h60 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1h60 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/P71278_ENTCL P71278_ENTCL]
+== 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/h6/1h60_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=1h60 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Pentaerythritol tetranitrate reductase (PETN reductase) degrades high explosive molecules including nitrate esters, nitroaromatics and cyclic triazine compounds. The enzyme also binds a variety of cyclic enones, including steroids; some steroids act as substrates whilst others are inhibitors. Understanding the basis of reactivity with cyclic enones requires structural information for the enzyme and key complexes formed with steroid substrates and inhibitors. The crystal structure of oxidised and reduced PETN reductase at 1.5 A resolution establishes a close structural similarity to the beta/alpha-barrel flavoenzyme, old yellow enzyme. In complexes of oxidised PETN reductase with progesterone (an inhibitor), 1,4-androstadiene-3,17-dione and prednisone (both substrates) the steroids are stacked over the si-face of the flavin in an orientation different from that reported for old yellow enzyme. The specifically reducible 1,2 unsaturated bonds in 1,4-androstadiene-3,17-dione and prednisone are not optimally aligned with the flavin N5 in oxidised enzyme complexes. These structures suggest either relative "flipping" or shifting of the steroid with respect to the flavin when bound in different redox forms of the enzyme. Deuterium transfer from nicotinamide coenzyme to 1,4-androstadiene-3,17-dione via the enzyme bound FMN indicates 1alpha addition at the steroid C2 atom. These studies rule out lateral motion of the steroid and indicate that the steroid orientation is "flipped" in different redox states of the enzyme.
-===STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE IN COMPLEX WITH PROGESTERONE===
+Crystal structure of pentaerythritol tetranitrate reductase: "flipped" binding geometries for steroid substrates in different redox states of the enzyme.,Barna TM, Khan H, Bruce NC, Barsukov I, Scrutton NS, Moody PC J Mol Biol. 2001 Jul 6;310(2):433-47. PMID:11428899<ref>PMID:11428899</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 1h60" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_11428899}}, adds the Publication Abstract to the page
+*[[Pentaerythritol tetranitrate reductase|Pentaerythritol tetranitrate reductase]]
-(as it appears on PubMed at http://www.pubmed.gov), where 11428899 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_11428899}}
+__TOC__
+</StructureSection>
-==About this Structure==
-H60 is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Enterobacter_cloacae Enterobacter cloacae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1H60 OCA].
-==Reference==
-<ref group="xtra">PMID:11428899</ref><references group="xtra"/>
 [[Category: Enterobacter cloacae]]
-[[Category: Barna, T.]]
+[[Category: Large Structures]]
-[[Category: Moody, P.]]
+[[Category: Barna TM]]
-[[Category: Flavoenzym]]
+[[Category: Moody PCE]]
-[[Category: Steroid binding]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 10:09:16 2009''