Completeness and Consistency in Structural Domain Classifications

Domain classifications are a useful resource for computational analysis of the protein structure, but elements of their composition are often opaque to potential users. We perform a comparative analysis of our classification ECOD against the SCOPe, SCOP2, and CATH domain classifications with respect to their constituent domain boundaries and hierarchal organization. The coverage of these domain classifications with respect to ECOD and to the PDB was assessed by structure and by sequence. We also conducted domain pair analysis to determine broad differences in hierarchy between domains shared by ECOD and other classifications. Finally, we present domains from the major facilitator superfamily (MFS) of transporter proteins and provide evidence that supports their split into domains and for multiple conformations within these families. We find that the ECOD and CATH provide the most extensive structural coverage of the PDB. ECOD and SCOPe have the most consistent domain boundary conditions, whereas CATH and SCOP2 both differ significantly.

Automated summary

Domain classifications are useful for computational analysis of protein structure, but their composition can be difficult for potential users to understand. Comparing ECOD with SCOPe, SCOP2, and CATH, it was found that ECOD and CATH provide the most extensive structural coverage of the PDB, with ECOD and SCOPe having the most consistent domain boundaries, while CATH and SCOP2 show significant differences.