3fwh: Difference between revisions

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-[[Image:3fwh.png|left|200px]]
-<!--
+==Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous==
-The line below this paragraph, containing "STRUCTURE_3fwh", creates the "Structure Box" on the page.
+<StructureSection load='3fwh' size='340' side='right'caption='[[3fwh]], [[Resolution|resolution]] 1.22&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'>[[3fwh]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodococcus_sp. Rhodococcus sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3FWH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3FWH 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]] 1.22&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=IPA:ISOPROPYL+ALCOHOL'>IPA</scene></td></tr>
-{{STRUCTURE_3fwh|  PDB=3fwh  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3fwh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3fwh OCA], [https://pdbe.org/3fwh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3fwh RCSB], [https://www.ebi.ac.uk/pdbsum/3fwh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3fwh ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/DHAA_RHOSO DHAA_RHOSO]
+== 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/fw/3fwh_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=3fwh ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The haloalkane dehalogenase DhaA from Rhodococcus rhodochrous NCIMB 13064 is a bacterial enzyme that shows catalytic activity for the hydrolytic degradation of the highly toxic industrial pollutant 1,2,3-trichloropropane (TCP). Mutagenesis focused on the access tunnels of DhaA produced protein variants with significantly improved activity towards TCP. Three mutants of DhaA named DhaA04 (C176Y), DhaA14 (I135F) and DhaA15 (C176Y + I135F) were constructed in order to study the functional relevance of the tunnels connecting the buried active site of the protein with the surrounding solvent. All three protein variants were crystallized using the sitting-drop vapour-diffusion technique. The crystals of DhaA04 belonged to the orthorhombic space group P2(1)2(1)2(1), while the crystals of DhaA14 and DhaA15 had triclinic symmetry in space group P1. The crystal structures of DhaA04, DhaA14 and DhaA15 with ligands present in the active site were solved and refined using diffraction data to 1.23, 0.95 and 1.22 A, resolution, respectively. Structural comparisons of the wild type and the three mutants suggest that the tunnels play a key role in the processes of ligand exchange between the buried active site and the surrounding solvent.
-===Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous===
+Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.,Stsiapanava A, Dohnalek J, Gavira JA, Kuty M, Koudelakova T, Damborsky J, Kuta Smatanova I Acta Crystallogr D Biol Crystallogr. 2010 Sep;66(Pt 9):962-9. Epub 2010, Aug 13. PMID:20823547<ref>PMID:20823547</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3fwh" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_20823547}}, adds the Publication Abstract to the page
+*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 20823547 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_20823547}}
+__TOC__
+</StructureSection>
-==About this Structure==
+[[Category: Large Structures]]
-[[3fwh]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Rhodococcus_sp. Rhodococcus sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3FWH OCA].
+[[Category: Rhodococcus sp]]
+[[Category: Dohnalek J]]
-==Reference==
+[[Category: Gavira JA]]
-<ref group="xtra">PMID:020823547</ref><ref group="xtra">PMID:019577578</ref><references group="xtra"/>
+[[Category: Kuta Smatanova I]]
-[[Category: Haloalkane dehalogenase]]
+[[Category: Kuty M]]
-[[Category: Rhodococcus sp.]]
+[[Category: Lapkouski M]]
-[[Category: Dohnalek, J.]]
+[[Category: Stsiapanava A]]
-[[Category: Gavira, J A.]]
-[[Category: Kuty, M.]]
-[[Category: Lapkouski, M.]]
-[[Category: Smatanova, I Kuta.]]
-[[Category: Stsiapanava, A.]]
-[[Category: Alpha/beta hydrolase core]]
-[[Category: C176y]]
-[[Category: Detoxification]]
-[[Category: Haloalkane]]
-[[Category: Helical cap domain]]
-[[Category: His272]]
-[[Category: Hydrolase]]
-[[Category: I135f]]
-[[Category: Mutant]]