View source for 5y2y


==Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand==
<StructureSection load='5y2y' size='340' side='right'caption='[[5y2y]], [[Resolution|resolution]] 2.27&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5y2y]] is a 2 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=5Y2Y OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5Y2Y 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]] 2.27&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8LL:5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide'>8LL</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=5y2y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y2y OCA], [https://pdbe.org/5y2y PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5y2y RCSB], [https://www.ebi.ac.uk/pdbsum/5y2y PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5y2y ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/DHAA_RHOSO DHAA_RHOSO] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Alkyl halides are potentially mutagenic carcinogens. However, no efficient fluorescent sensor for alkyl halide detection in human-derived samples has been developed to date. Herein, we report a new protein-based fluorescent sensor for alkyl halides. Analysis of the HaloTag holo-crystal structure with its covalently attached ligand revealed an unexpected cavity, allowing for the design of a new fluorogenic ligand. This ligand showed the highest fluorescence response (300-fold) and fastest binding kinetics (t1/2 &lt; 150 s) to a HaloTag mutant (M175P) protein. This protein-based sensor system was effectively used to detect alkyl halides in human serum and monitor real-time protein alkylation.

Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides.,Kang MG, Lee H, Kim BH, Dunbayev Y, Seo JK, Lee C, Rhee HW Chem Commun (Camb). 2017 Aug 15;53(66):9226-9229. doi: 10.1039/c7cc03714g. PMID:28766590<ref>PMID:28766590</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5y2y" style="background-color:#fffaf0;"></div>

==See Also==
*[[Dehalogenase 3D structures|Dehalogenase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Rhodococcus sp]]
[[Category: Kang M]]
[[Category: Lee C]]
[[Category: Lee H]]
[[Category: Rhee H]]