Additional file 1:

Four complexed and three unbound structures (all multimers) were converted into their respective monomeric equivalents in the original test set by deleting chains. Additional Table 1 indicates which chains were deleted to form the monomeric proteins. List of structures converted into their monomeric versions by deleting chains from the original PDB file.

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Additional file 2:

Four complexed and three unbound structures (multimers) were converted into their respective monomeric equivalents in the original test set by deleting chains (see additional Table 1). Results for calculations on the multimeric proteins are presented in additional file 2). Results of PocketPicker calculations on seven multimeric structures contained in the test data set. ¹Rank of pocket-centers within 4 Å of the considered ligand (brackets indicate hits exceeding the 4 Å criterion). Only the best hit is shown. Dashes indicate that the actual binding site is not found within the five largest predicted pockets. ²Distance from the geometric pocket center to the nearest atom in the ligand. ³Pocket detection for 1a4j failed, due to PyMOL's inability to align the dimer structure with its corresponding monomeric complex 1igj.

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