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Article ID: 525 - Last Modified:

I am trying to use Align Binding Sites to align two kinase binding sites, but I get this error message:

ERROR: Less than 3 receptor atoms found within 10.00 A of ligand atoms in first file...exiting.

What would the best options to use be in order to get it to run?

If one of the structures from the set to be aligned does not have a ligand in it, that could cause this error. If that is the case, you can either use the option "Manually select residues" and pick active site residues for the alignment, or as an alternative, you can try Tools → Protein Structure Alignment.

Keywords: protein structure alignment, align binding sites, Maestro

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