CorNet: Assigning function to networks of co-evolving residues by automated literature mining

نویسندگان

  • Tom van den Bergh
  • Giorgio Tamo
  • Alberto Nobili
  • Yifeng Tao
  • Tianwei Tan
  • Uwe T Bornscheuer
  • Remko K P Kuipers
  • Bas Vroling
  • René M de Jong
  • Kalyanasundaram Subramanian
  • Peter J Schaap
  • Tom Desmet
  • Bernd Nidetzky
  • Gert Vriend
  • Henk-Jan Joosten
چکیده

CorNet is a web-based tool for the analysis of co-evolving residue positions in protein super-family sequence alignments. CorNet projects external information such as mutation data extracted from literature on interactively displayed groups of co-evolving residue positions to shed light on the functions associated with these groups and the residues in them. We used CorNet to analyse six enzyme super-families and found that groups of strongly co-evolving residues tend to consist of residues involved in a same function such as activity, specificity, co-factor binding, or enantioselectivity. This finding allows to assign a function to residues for which no data is available yet in the literature. A mutant library was designed to mutate residues observed in a group of co-evolving residues predicted to be involved in enantioselectivity, but for which no literature data is available yet. The resulting set of mutations indeed showed many instances of increased enantioselectivity.

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عنوان ژورنال:

دوره 12  شماره 

صفحات  -

تاریخ انتشار 2017