1. Target definition
All tools in the ProteinsPlus server work on a structure of a protein or a nucleic acid.
In the first step, you need to define this structure either by selecting a structure form the
Protein Data Bank (PDB) via its PDB code (e.g. 2ozr) or upload any other structure in PDB format.
Additional ligand molecules can be provided in SDF format.
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2. Tool selection
Afterwards you can select the tool you are interested in. You can choose ActivityFinder
either by selecting it from the drop-down menu or by following the link under the respective tool description.
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3. Trigger calculation
For running ActivityFinder, no configuration is necessary. Just press the calculation
button.
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4. Result
The activity finder establishes a connection between crystallographic data stored in the
PDB and the activity values that can be found in the ChEMBL database. The results are listed in a table in
which each row represents the activity value for a pair of target protein and a ligand (these ligand are listed
in the result table with their PDB identifiers). All information can additionally be downloaded using the
download button.
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