1px0: Difference between revisions

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{{Seed}}
[[Image:1px0.png|left|200px]]


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==Crystal structure of the haloalcohol dehalogenase HheC complexed with the haloalcohol mimic (R)-1-para-nitro-phenyl-2-azido-ethanol==
The line below this paragraph, containing "STRUCTURE_1px0", creates the "Structure Box" on the page.
<StructureSection load='1px0' size='340' side='right'caption='[[1px0]], [[Resolution|resolution]] 1.90&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'>[[1px0]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Agrobacterium_tumefaciens Agrobacterium tumefaciens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PX0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1PX0 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]] 1.9&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=RPN:(R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL'>RPN</scene></td></tr>
{{STRUCTURE_1px0|  PDB=1px0  |  SCENE=  }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1px0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1px0 OCA], [https://pdbe.org/1px0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1px0 RCSB], [https://www.ebi.ac.uk/pdbsum/1px0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1px0 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q93D82_RHIRD Q93D82_RHIRD]
== 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/px/1px0_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=1px0 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Haloalcohol dehalogenases are bacterial enzymes that catalyze the cofactor-independent dehalogenation of vicinal haloalcohols such as the genotoxic environmental pollutant 1,3-dichloro-2-propanol, thereby producing an epoxide, a chloride ion and a proton. Here we present X-ray structures of the haloalcohol dehalogenase HheC from Agrobacterium radiobacter AD1, and complexes of the enzyme with an epoxide product and chloride ion, and with a bound haloalcohol substrate mimic. These structures support a catalytic mechanism in which Tyr145 of a Ser-Tyr-Arg catalytic triad deprotonates the haloalcohol hydroxyl function to generate an intramolecular nucleophile that substitutes the vicinal halogen. Haloalcohol dehalogenases are related to the widespread family of NAD(P)H-dependent short-chain dehydrogenases/reductases (SDR family), which use a similar Ser-Tyr-Lys/Arg catalytic triad to catalyze reductive or oxidative conversions of various secondary alcohols and ketones. Our results reveal the first structural details of an SDR-related enzyme that catalyzes a substitutive dehalogenation reaction rather than a redox reaction, in which a halide-binding site is found at the location of the NAD(P)H binding site. Structure-based sequence analysis reveals that the various haloalcohol dehalogenases have likely originated from at least two different NAD-binding SDR precursors.


===Crystal structure of the haloalcohol dehalogenase HheC complexed with the haloalcohol mimic (R)-1-para-nitro-phenyl-2-azido-ethanol===
Structure and mechanism of a bacterial haloalcohol dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site.,de Jong RM, Tiesinga JJ, Rozeboom HJ, Kalk KH, Tang L, Janssen DB, Dijkstra BW EMBO J. 2003 Oct 1;22(19):4933-44. PMID:14517233<ref>PMID:14517233</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1px0" style="background-color:#fffaf0;"></div>


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==See Also==
The line below this paragraph, {{ABSTRACT_PUBMED_14517233}}, adds the Publication Abstract to the page
*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
(as it appears on PubMed at http://www.pubmed.gov), where 14517233 is the PubMed ID number.
== References ==
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<references/>
{{ABSTRACT_PUBMED_14517233}}
__TOC__
 
</StructureSection>
==About this Structure==
1PX0 is a 4 chains structure of sequences from [http://en.wikipedia.org/wiki/Agrobacterium_tumefaciens Agrobacterium tumefaciens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PX0 OCA].
 
==Reference==
<ref group="xtra">PMID:14517233</ref><references group="xtra"/>
[[Category: Agrobacterium tumefaciens]]
[[Category: Agrobacterium tumefaciens]]
[[Category: Dijkstra, B W.]]
[[Category: Large Structures]]
[[Category: Janssen, D B.]]
[[Category: Dijkstra BW]]
[[Category: Jong, R M.de.]]
[[Category: Janssen DB]]
[[Category: Kalk, K H.]]
[[Category: Kalk KH]]
[[Category: Rozeboom, H J.]]
[[Category: Rozeboom HJ]]
[[Category: Tang, L.]]
[[Category: Tang L]]
[[Category: Tiesinga, J J.W.]]
[[Category: Tiesinga JJW]]
[[Category: Haloalcohol dehalogenase]]
[[Category: De Jong RM]]
[[Category: Halohydrin dehalogenase]]
[[Category: Halohydrin hydrogen-halide lyase]]
[[Category: Rossmann fold]]
[[Category: Sdr family]]
[[Category: Short-chain dehydrogenase/reductase]]
 
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Retrieved from "https://proteopedia.org/1px0"