Docking-guided identification of protein hosts for GFP chromophore-like ligands

被引：29

作者：

Povarova, Natalia V. ^{[1
]}

Bozhanova, Nina G. ^{[1
]}

Sarkisyan, Karen S. ^{[1
]}

Gritcenko, Roman ^{[1
]}

Baranov, Mikhail S. ^{[1
,2
]}

Yampolsky, Ilia V. ^{[1
,2
]}

Lukyanov, Konstantin A. ^{[1
]}

Mishin, Alexander S. ^{[1
]}

机构：

[1] Shemyakin Ovchinnikov Inst Bioorgan Chem, Miklukho Maklaya 16-10, Moscow 117997, Russia

[2] Pirogov Russian Natl Res Med Univ, Ostrovitianova 1, Moscow 117997, Russia

来源：

JOURNAL OF MATERIALS CHEMISTRY C | 2016年 / 4卷 / 14期

基金：

俄罗斯基础研究基金会;

关键词：

HARTREE-FOCK; RNA MIMICS; BASIS-SETS; FLUORESCENCE; EFFICIENT; ANALOGS; DESIGN; STATES;

D O I：

10.1039/c5tc03931b

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Synthetic analogs of the Green Fluorescent Protein (GFP) chromophore emerge as promising fluorogenic dyes for labeling in living systems. Here, we report the computational identification of protein hosts capable of binding to and enhancing fluorescence of GFP chromophore derivatives. Automated docking of GFP-like chromophores to over 3000 crystal structures of Escherichia coli proteins available in the Protein Data Bank allowed the identification of a set of candidate proteins. Four of these proteins were tested experimentally in vitro for binding with the GFP chromophore and its red-shifted Kaede chromophore-like analogs. Two proteins were found to possess sub-micromolar affinity for some Kaede-like chromophores and activate fluorescence of these fluorogens.

引用

页码：3036 / 3040

页数：5

共 33 条

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