title: Probing water micro-solvation in proteins by water catalysed proton-transfer tautomerism.
abstract: Scientists have made tremendous efforts to gain understanding of the water molecules in proteins via indirect measurements such as molecular dynamic simulation and/or probing the polarity of the local environment. Here we present a tryptophan analogue that exhibits remarkable water catalysed proton-transfer properties. The resulting multiple emissions provide unique fingerprints that can be exploited for direct sensing of a site-specific water environment in a protein without disrupting its native structure. Replacing tryptophan with the newly developed tryptophan analogue we sense different water environments surrounding the five tryptophans in human thromboxane A₂ synthase. This development may lead to future research to probe how water molecules affect the folding, structures and activities of proteins.
authors.affiliation: 1] Department of Chemistry, Center for Emerging Material and Advanced Devices, National Taiwan University, Taipei 10617, Taiwan [2].
authors.forename: Jiun-Yi
authors.initials: JY
authors.lastname: Shen
authors.forename: Wei-Chih
authors.initials: WC
authors.lastname: Chao
authors.forename: Chun
authors.initials: C
authors.lastname: Liu
authors.forename: Hsiao-An
authors.initials: HA
authors.lastname: Pan
authors.forename: Hsiao-Ching
authors.initials: HC
authors.lastname: Yang
authors.forename: Chi-Lin
authors.initials: CL
authors.lastname: Chen
authors.forename: Yi-Kang
authors.initials: YK
authors.lastname: Lan
authors.forename: Li-Ju
authors.initials: LJ
authors.lastname: Lin
authors.forename: Jinn-Shyan
authors.initials: JS
authors.lastname: Wang
authors.forename: Jyh-Feng
authors.initials: JF
authors.lastname: Lu
authors.forename: Steven
authors.initials: S
authors.lastname: Chun-Wei Chou
authors.forename: Kuo-Chun
authors.initials: KC
authors.lastname: Tang
authors.forename: Pi-Tai
authors.initials: PT
authors.lastname: Chou
mesh_terms: D015374:Biosensing Techniques; D004926:Escherichia coli / Q000235:genetics / Q000378:metabolism; D006801:Humans; D007211:Indoles / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D009154:Mutation; D011522:Protons; D011994:Recombinant Proteins; D013050:Spectrometry, Fluorescence; D013930:Thromboxane-A Synthase / Q000737:chemistry* / Q000235:genetics; D014364:Tryptophan / Q000031:analogs & derivatives / Q000737:chemistry*; D014867:Water / Q000032:analysis* / Q000737:chemistry
chemical_list: D007211:Indoles; D011522:Protons; D011994:Recombinant Proteins; D014867:Water; D014364:Tryptophan; D013930:Thromboxane-A Synthase