1fju: Difference between revisions

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-[[Image:1fju.jpg|left|200px]]<br /><applet load="1fju" size="350" color="white" frame="true" align="right" spinBox="true"
-caption="1fju, resolution 2.0&Aring;" />
-'''THERMOLYSIN (80% ACETONITRILE SOAKED CRYSTALS)'''<br />
-==Overview==
+==THERMOLYSIN (80% ACETONITRILE SOAKED CRYSTALS)==
-Multiple Solvent Crystal Structures (MSCS) is a crystallographic technique to identify energetically favorable positions and orientations of small organic molecules on the surface of proteins. We determined the high-resolution crystal structures of thermolysin (TLN), generated from crystals soaked in 50--70% acetone, 50--80% acetonitrile and 50 mM phenol. The structures of the protein in the aqueous-organic mixtures are essentially the same as the native enzyme and a number of solvent interaction sites were identified. The distribution of probe molecules shows clusters in the main specificity pocket of the active site and a buried subsite. Within the active site, we compared the experimentally determined solvent positions with predictions from two computational functional group mapping techniques, GRID and Multiple Copy Simultaneous Search (MCSS). The experimentally determined small molecule positions are consistent with the structures of known protein--ligand complexes of TLN.
+<StructureSection load='1fju' size='340' side='right'caption='[[1fju]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[1fju]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FJU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FJU FirstGlance]. <br>
+</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&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CCN:ACETONITRILE'>CCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1fju FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fju OCA], [https://pdbe.org/1fju PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1fju RCSB], [https://www.ebi.ac.uk/pdbsum/1fju PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1fju ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/THER_BACTH THER_BACTH] Extracellular zinc metalloprotease.
+== 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/1fju_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=1fju ConSurf].
+<div style="clear:both"></div>
-==About this Structure==
+==See Also==
-FJU is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=CA:'>CA</scene>, <scene name='pdbligand=DMS:'>DMS</scene> and <scene name='pdbligand=CCN:'>CCN</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FJU OCA].
+*[[Thermolysin 3D structures|Thermolysin 3D structures]]
+__TOC__
-==Reference==
+</StructureSection>
-Experimental and computational mapping of the binding surface of a crystalline protein., English AC, Groom CR, Hubbard RE, Protein Eng. 2001 Jan;14(1):47-59. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11287678 11287678]
 [[Category: Bacillus thermoproteolyticus]]
-[[Category: Single protein]]
+[[Category: Large Structures]]
-[[Category: Thermolysin]]
+[[Category: English AC]]
-[[Category: English, A C.]]
+[[Category: Groom CR]]
-[[Category: Groom, C R.]]
+[[Category: Hubbard RE]]
-[[Category: Hubbard, R E.]]
-[[Category: CA]]
-[[Category: CCN]]
-[[Category: DMS]]
-[[Category: ZN]]
-[[Category: metalloproteinase]]
-[[Category: organic solvent]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:39:26 2008''