Cysteinome: The first comprehensive database for proteins with targetable cysteine and their covalent inhibitors

Sijin Wu, Huizhe Luo (Howard), Haina Wang, Weijie Zhao, Qiwan Hu, Yongliang Yang*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

34 Citations (Scopus)

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/.

Original languageEnglish
Pages (from-to)1268-1273
Number of pages6
JournalBiochemical and Biophysical Research Communications
Volume478
Issue number3
DOIs
Publication statusPublished - 2016
Externally publishedYes

Keywords

  • Covalent modification
  • Cysteine
  • Drug design
  • Online database

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