Schaeffer R Dustin, Kinch Lisa N, Pei Jimin, Medvedev Kirill E, Grishin Nick V
Departments of Biophysics and Biochemistry, University of Texas Southwestern Medical Center, Dallas, Texas 75390, United States.
Howard Hughes Medical Institute, University of Texas Southwestern Medical Center, Dallas, Texas 75390, United States.
ACS Omega. 2021 Jun 8;6(24):15698-15707. doi: 10.1021/acsomega.1c00950. eCollection 2021 Jun 22.
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.
结构域分类是蛋白质结构计算分析的有用资源,但其组成元素往往让潜在用户难以理解。我们针对我们的ECOD分类与SCOPe、SCOP2和CATH结构域分类的组成结构域边界和层次组织进行了比较分析。通过结构和序列评估了这些结构域分类相对于ECOD和蛋白质数据银行(PDB)的覆盖范围。我们还进行了结构域对分析,以确定ECOD与其他分类共有的结构域之间在层次上的广泛差异。最后,我们展示了转运蛋白主要易化子超家族(MFS)的结构域,并提供证据支持它们可分为不同结构域以及这些家族内存在多种构象。我们发现ECOD和CATH对PDB的结构覆盖最为广泛。ECOD和SCOPe具有最一致的结构域边界条件,而CATH和SCOP2两者均有显著差异。