title: Cysteinome: The first comprehensive database for proteins with targetable cysteine and their covalent inhibitors.
abstract: The covalent modification of intrinsically nucleophilic cysteine in proteins is crucial for diverse biochemical events. Bioinformatics approaches may prove useful in the design and discovery of covalent molecules targeting the cysteine in proteins to tune their functions and activities. Herein, we describe the Cysteinome, the first online database that provides a rich resource for the display, search and analysis of structure, function and related annotation for proteins with targetable cysteine as well as their covalent modulators. To this end, Cysteinome compiles 462 proteins with targetable cysteine from 122 different species along with 1217 covalent modulators curated from existing literatures. Proteins are annotated with a detailed description of protein families, biological process and related diseases. In addition, covalent modulators are carefully annotated with chemical name, chemical structure, binding affinity, physicochemical properties, molecule type and related diseases etc. The Cysteinome database may serve as a useful platform for the identification of crucial proteins with targetable cysteine in certain cellular context. Furthermore, it may help biologists and chemists for the design and discovery of covalent chemical probes or inhibitors homing at functional cysteine of critical protein targets implicated in various physiological or disease process. The Cysteinome database is freely available to public at http://www.cysteinome.org/.
authors.affiliation: Center for Molecular Medicine, School of Life Science and Biotechnology, Dalian University of Technology, Dalian, 116023, PR China; School of Pharmacology, Dalian University of Technology, Dalian, 116023, PR China.
authors.forename: Sijin
authors.initials: S
authors.lastname: Wu
authors.affiliation: Center for Molecular Medicine, School of Life Science and Biotechnology, Dalian University of Technology, Dalian, 116023, PR China.
authors.forename: Huizhe
authors.initials: H
authors.lastname: Luo Howard
authors.affiliation: Center for Molecular Medicine, School of Life Science and Biotechnology, Dalian University of Technology, Dalian, 116023, PR China.
authors.forename: Haina
authors.initials: H
authors.lastname: Wang
authors.affiliation: School of Pharmacology, Dalian University of Technology, Dalian, 116023, PR China.
authors.forename: Weijie
authors.initials: W
authors.lastname: Zhao
authors.affiliation: Center for Molecular Medicine, School of Life Science and Biotechnology, Dalian University of Technology, Dalian, 116023, PR China.
authors.forename: Qiwan
authors.initials: Q
authors.lastname: Hu
authors.affiliation: Center for Molecular Medicine, School of Life Science and Biotechnology, Dalian University of Technology, Dalian, 116023, PR China. Electronic address: everbright99@gmail.com.
authors.forename: Yongliang
authors.initials: Y
authors.lastname: Yang
mesh_terms: D003545:Cysteine / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism*; D030562:Databases, Protein; D020407:Internet; D055442:Metabolome
chemical_list: D003545:Cysteine
keywords: Covalent modification; Cysteine; Drug design; Online database