5y2y

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

Structural highlights

5y2y is a 2 chain structure with sequence from Rhodococcus sp.. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.27Å
Ligands:8LL, CL
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

DHAA_RHOSO

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[1]

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

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See Also

References

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

Contents


PDB ID 5y2y

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