HotSpot Wizard 2.0

HotSpot Wizard 2.0

software

Use of the result by another entity is possible without acquiring a license in some cases

The licensor does not require a license fee for the result

Štourač Jan (FIT)
Bendl Jaroslav, Ing., Ph.D.
Chovancová Eva, Mgr., Ph.D. (FIT)
Musil Miloš, Ing., Ph.D. (DIFS)
Brezovský Jan (FIT)
Damborský Jiří, prof. Mgr., Dr. (UMEL)

protein engineering; smart library design; computational mutagenesis; hotspot prediction

HotSpot Wizard is a web server for automatic identification of hot spots for engineering of substrate specificity, activity or entantioselectivity of enzymes and for annotation of protein structures. HSW 2.0 integrates 3 databases and 18 computational tools, including our in-house tool for analysis of protein tunnels and channels Caver 3.0. In the output, users can explore hot spots based on 4 protein engineering strategies: (i) functional hot spots represented by highly mutable residues located in the active site pocket or access tunnels, (ii) stability hot spots represented by flexible residues, (iii) stability hot spots identified by back-to-consensus approach, and (iv) correlated hot spots represented by pairs of coevolving residues that modulate enzyme activity and selectivity.

Nástroj je dostupný na internetové adrese:http://loschmidt.chemi.muni.cz/hotspotwizard2

Výzkum pokročilých metod ICT a jejich aplikace, BUT, Vnitřní projekty VUT, FIT-S-14-2299, 2014-2016, completed

Information and Database Systems Research Group (RG IS)

Department of Information Systems (DIFS)