Three-dimensional protein structures play a vital role in drug design. Thorough examination of the available data before usage in experimentation and method validation is highly recommended. StructureProfiler assists in automatically profiling structures ranging from model characteristics like low R factor over active site features such as bond lengths in expected ranges to ligand properties such as electron density coverage and freuqently seen torsion angles.
The StructureProfiler DataSet is a frequently updated data set identified by StructureProfiler over all structures in the PDB. It consists of a list with the entry PDBID, HET Code, Chain ID, InfileID
for each ligand which passes all of the in the combined StructureProfiler configuration requested quality tests for the ligand, its active site and the overall structure.
The various scores to measure electron density support of the model are in all configurations replaced by EDIA .
|List of Passing Ligands||Raw StructureProfiler Data|