5y2y | pdb_00005y2y

Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand

spinqualitylabelsall models 5y2y, resolution 2.27Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5y2y is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 8LL, CL Activity: Haloalkane dehalogenase, with EC number 3.8.1.5 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT 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 < 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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