2ivf: Difference between revisions

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~~[[Image:2ivf.png|left|200px]]~~

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==Ethylbenzene dehydrogenase from Aromatoleum aromaticum==

~~The line below this paragraph~~, ~~containing~~ "~~STRUCTURE_2ivf~~", ~~creates the~~ "~~Structure Box~~" on the ~~page~~.

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'>[[2ivf]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Aromatoleum_aromaticum_EbN1 Aromatoleum aromaticum EbN1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IVF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IVF 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]] 1.88Å</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=MD1:PHOSPHORIC+ACID+4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL+ESTER+GUANYLATE+ESTER'>MD1</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MGD:2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE+GUANOSINE+DINUCLEOTIDE'>MGD</scene>, <scene name='pdbligand=MO:MOLYBDENUM+ATOM'>MO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>

~~{{STRUCTURE_2ivf| PDB=2ivf | SCENE= }}~~

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2ivf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ivf OCA], [https://pdbe.org/2ivf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ivf RCSB], [https://www.ebi.ac.uk/pdbsum/2ivf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ivf ProSAT]</span></td></tr>

</table>

== Function ==

[https://www.uniprot.org/uniprot/Q5P5I0_AROAE Q5P5I0_AROAE]

== Evolutionary Conservation ==

[[Image:Consurf_key_small.gif|200px|right]]

Check<jmol>

<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/iv/2ivf_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=2ivf ConSurf].

== Publication Abstract from PubMed ==

Anaerobic degradation of hydrocarbons was discovered a decade ago, and ethylbenzene dehydrogenase was one of the first characterized enzymes involved. The structure of the soluble periplasmic 165 kDa enzyme was established at 1.88 A resolution. It is a heterotrimer. The alpha subunit contains the catalytic center with a molybdenum held by two molybdopterin-guanine dinucleotides, one with an open pyran ring, and an iron-sulfur cluster with a histidine ligand. During catalysis, electrons produced by substrate oxidation are transferred to a heme in the gamma subunit and then presumably to a separate cytochrome involved in nitrate respiration. The beta subunit contains four iron-sulfur clusters and is structurally related to ferredoxins. The gamma subunit is the first known protein with a methionine and a lysine as axial heme ligands. The catalytic product was modeled into the active center, showing the reaction geometry. A mechanism consistent with activity and inhibition data of ethylbenzene-related compounds is proposed.

~~===ETHYLBENZENE DEHYDROGENASE FROM AROMATOLEUM AROMATICUM===~~

Crystal structure of ethylbenzene dehydrogenase from Aromatoleum aromaticum.,Kloer DP, Hagel C, Heider J, Schulz GE Structure. 2006 Sep;14(9):1377-88. PMID:16962969<ref>PMID:16962969</ref>

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

~~<!--~~

</div>

~~The line below this paragraph~~, ~~{{ABSTRACT_PUBMED_16962969}}, adds~~ the ~~Publication Abstract to the page~~

~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 16962969 is the PubMed ID number~~.

== References ==

-->

~~{{ABSTRACT_PUBMED_16962969}}~~

__TOC__

</StructureSection>

==~~About this Structure==~~

[[Category: Aromatoleum aromaticum EbN1]]

~~[[2ivf]] is a 3 chain structure with sequence from [http~~:/~~/en.wikipedia.org/wiki/Aromatoleum_aromaticum Aromatoleum aromaticum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IVF OCA].~~

[[Category: Large Structures]]

[[Category: Hagel C]]

==~~Reference~~==

[[Category: Heider J]]

<~~ref group="xtra">PMID:016962969<~~/~~ref~~><~~references group="xtra"~~/>

[[Category: Kloer DP]]

[[Category: Aromatoleum aromaticum]]

[[Category: Schulz GE]]

[[Category: ~~Ethylbenzene hydroxylase~~]]

[[Category: Hagel, C.]]

[[Category: Heider, J.]]

[[Category: Kloer~~, D P.~~]]

[[Category: Schulz~~, G E.]]~~

~~[[Category: Anaerobic hydrocarbon degradation]]~~

~~[[Category: Dmso reductase family]]~~

~~[[Category: Fe/s cluster]]~~

~~[[Category: Mo- bismgd enzyme]]~~

~~[[Category: Moco]]~~

~~[[Category: Oxidoreductase~~]]

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@@ Line 1: / Line 1: @@
-[[Image:2ivf.png|left|200px]]
-<!--
+==Ethylbenzene dehydrogenase from Aromatoleum aromaticum==
-The line below this paragraph, containing "STRUCTURE_2ivf", creates the "Structure Box" on the page.
+<StructureSection load='2ivf' size='340' side='right'caption='[[2ivf]], [[Resolution|resolution]] 1.88&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'>[[2ivf]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Aromatoleum_aromaticum_EbN1 Aromatoleum aromaticum EbN1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IVF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IVF 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]] 1.88&#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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=MD1:PHOSPHORIC+ACID+4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL+ESTER+GUANYLATE+ESTER'>MD1</scene>, <scene name='pdbligand=MES:2-(N-MORPHOLINO)-ETHANESULFONIC+ACID'>MES</scene>, <scene name='pdbligand=MGD:2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE+GUANOSINE+DINUCLEOTIDE'>MGD</scene>, <scene name='pdbligand=MO:MOLYBDENUM+ATOM'>MO</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-{{STRUCTURE_2ivf|  PDB=2ivf  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2ivf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ivf OCA], [https://pdbe.org/2ivf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ivf RCSB], [https://www.ebi.ac.uk/pdbsum/2ivf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ivf ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q5P5I0_AROAE Q5P5I0_AROAE]
+== 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/iv/2ivf_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=2ivf ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Anaerobic degradation of hydrocarbons was discovered a decade ago, and ethylbenzene dehydrogenase was one of the first characterized enzymes involved. The structure of the soluble periplasmic 165 kDa enzyme was established at 1.88 A resolution. It is a heterotrimer. The alpha subunit contains the catalytic center with a molybdenum held by two molybdopterin-guanine dinucleotides, one with an open pyran ring, and an iron-sulfur cluster with a histidine ligand. During catalysis, electrons produced by substrate oxidation are transferred to a heme in the gamma subunit and then presumably to a separate cytochrome involved in nitrate respiration. The beta subunit contains four iron-sulfur clusters and is structurally related to ferredoxins. The gamma subunit is the first known protein with a methionine and a lysine as axial heme ligands. The catalytic product was modeled into the active center, showing the reaction geometry. A mechanism consistent with activity and inhibition data of ethylbenzene-related compounds is proposed.
-===ETHYLBENZENE DEHYDROGENASE FROM AROMATOLEUM AROMATICUM===
+Crystal structure of ethylbenzene dehydrogenase from Aromatoleum aromaticum.,Kloer DP, Hagel C, Heider J, Schulz GE Structure. 2006 Sep;14(9):1377-88. PMID:16962969<ref>PMID:16962969</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-<!--
+</div>
-The line below this paragraph, {{ABSTRACT_PUBMED_16962969}}, adds the Publication Abstract to the page
+<div class="pdbe-citations 2ivf" style="background-color:#fffaf0;"></div>
-(as it appears on PubMed at http://www.pubmed.gov), where 16962969 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_16962969}}
+__TOC__
+</StructureSection>
-==About this Structure==
+[[Category: Aromatoleum aromaticum EbN1]]
-[[2ivf]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Aromatoleum_aromaticum Aromatoleum aromaticum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IVF OCA].
+[[Category: Large Structures]]
+[[Category: Hagel C]]
-==Reference==
+[[Category: Heider J]]
-<ref group="xtra">PMID:016962969</ref><references group="xtra"/>
+[[Category: Kloer DP]]
-[[Category: Aromatoleum aromaticum]]
+[[Category: Schulz GE]]
-[[Category: Ethylbenzene hydroxylase]]
-[[Category: Hagel, C.]]
-[[Category: Heider, J.]]
-[[Category: Kloer, D P.]]
-[[Category: Schulz, G E.]]
-[[Category: Anaerobic hydrocarbon degradation]]
-[[Category: Dmso reductase family]]
-[[Category: Fe/s cluster]]
-[[Category: Mo- bismgd enzyme]]
-[[Category: Moco]]
-[[Category: Oxidoreductase]]