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Contents
 
Introduction
Help Videos
Reference Guide
Getting Started
Protein Structure
 Convert to ICM Object
 Pocket Display
 Crystallographic Analysis
 Protein Superposition
 Protein Structure Analysis
 3D Predict
 3D Similarity
 Scan Pockets
Molecular Graphics
Slides & ActiveICM
Sequences & Alignments
Protein Modeling
Cheminformatics
Learn and Predict
Docking
Virtual Screening
Molecular Dynamics
MolScreen
3D Ligand Editor
Tables and Plots
Local Databases
ICM-Scarab
KNIME
Tutorials
FAQs
 
Index
PrevICM User's Guide
5.7 3D Similarity PDB Search
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This option searches the PDB for proteins with similar structures or folds to the query. You can search using the entire protein, a specific region, or a non-contiguous selection (e.g., a ligand-binding pocket). The method first performs a fast 3D similarity search on a backbone-stripped version of the PDB, using distance RMSD between C-alpha atom distance matrices. For the top matches, the optimal coordinate RMSD is then calculated and reported.

  • First read in your query protein structure.
  • You can use selection to define the region of interest - whether it’s the whole protein, a specific segment, or a non-contiguous selection such as a ligand-binding pocket. election (e.g. ligand binding pocket).
  • You can then right click and choose "3D protein similarity search" or select it in the Tools menu.
  • A dialog box will be displayed and there is an option to update PDB index. First update your index - it might take a few minutes.
  • Then select the rmsd search threshold - ICM will not report any hits higher than the threshold
  • Click OK to run the search.
  • A table will then be displayed reporting the hits ranked by rmsd.
  • Double click to load the structure and superimpose it onto your query protein.


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