ProBiS H2O Plugin

We developed the ProBiS H2O approach, which enables identification of conserved water sites in proteins using experimental protein structures from the PDB or a set of custom protein structures available to the user. With a protein structure, a binding site or an individual water molecule as query.

ProBiS H2O Plugin (current version)


ProBiS H2O Plugin User Guide / Tutorial


Installation

Download the ProBiS H2O plugin file and follow the instructions in User Guide / Tutorial file.

System Requirements

The ProBiS plugin has been developed for Linux environment with PyMOL version > 1.8.

Important Notes

  • Before experimentation, database files need to be set-up, a process that can take a bit longer. Subsequent usage shoud be lightning-fast.
  • Sometimes the "fetch/reset" button downloads the system at PyMol defaut visualisation settings. This is a PyMol inconsistency that can be resolved by simply fetching the system again.

Related Publications


pdf Marko Jukič, Janez Konc, Stanislav Gobec, Dušanka Janežič. Identification of Conserved Water Sites in Protein Structures for Drug Design. J. Chem. Inf. Model., 2017, doi: 10.1021/acs.jcim.7b00443
Jukič, Marko, Janez Konc, Stanislav Gobec, Dušanka Janežič. Identification of Conserved Water Sites in Protein Structures for Drug Design. J. Chem. Inf. Model., 2017, doi: 10.1021/acs.jcim.7b00443
Jukic, M., Ilas, J., Brvar, M., Kikelj, D., Cesar, J., Anderluh, M. (2016) Linker-switch approach towards new ATP binding site inhibitors of DNA gyrase B. European Journal of Medicinal Chemistry, 125, 500-514.
Jukic, Marko, et al. Linker-switch approach towards new ATP binding site inhibitors of DNA gyrase B. European Journal of Medicinal Chemistry, 2017, 125, 500-514.
@article{jukic2017linker,
 title={Linker-switch approach towards new ATP binding site inhibitors of DNA gyrase B},
 author={Jukic, Marko, Marko Jukic, Jukic and Anderluh},
 journal={European Journal of Medicinal Chemistry},
 volume={125},
 number={125},
 year={2017},
 publisher={Elsevier}
}
%0 Journal Article
%T Linker-switch approach towards new ATP binding site inhibitors of DNA gyrase B
%A Jukic, Marko
%A Ilas, Janez
%A Brvar, Matjaz
%A Kikelj, Danijel
%A Cesar, Jozko
%A Anderluh, Marko
%J European Journal of Medicinal Chemistry
%V 125
%N 125
%D 2017
%I Elsevier