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Completeness and Consistency in Structural Domain Classifications

[Image: see text] 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 classifica...

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Autores principales: Schaeffer, R. Dustin, Kinch, Lisa N., Pei, Jimin, Medvedev, Kirill E., Grishin, Nick V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8223206/
https://www.ncbi.nlm.nih.gov/pubmed/34179613
http://dx.doi.org/10.1021/acsomega.1c00950
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author Schaeffer, R. Dustin
Kinch, Lisa N.
Pei, Jimin
Medvedev, Kirill E.
Grishin, Nick V.
author_facet Schaeffer, R. Dustin
Kinch, Lisa N.
Pei, Jimin
Medvedev, Kirill E.
Grishin, Nick V.
author_sort Schaeffer, R. Dustin
collection PubMed
description [Image: see text] 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.
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spelling pubmed-82232062021-06-25 Completeness and Consistency in Structural Domain Classifications Schaeffer, R. Dustin Kinch, Lisa N. Pei, Jimin Medvedev, Kirill E. Grishin, Nick V. ACS Omega [Image: see text] 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. American Chemical Society 2021-06-08 /pmc/articles/PMC8223206/ /pubmed/34179613 http://dx.doi.org/10.1021/acsomega.1c00950 Text en © 2021 The Authors. Published by American Chemical Society Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Schaeffer, R. Dustin
Kinch, Lisa N.
Pei, Jimin
Medvedev, Kirill E.
Grishin, Nick V.
Completeness and Consistency in Structural Domain Classifications
title Completeness and Consistency in Structural Domain Classifications
title_full Completeness and Consistency in Structural Domain Classifications
title_fullStr Completeness and Consistency in Structural Domain Classifications
title_full_unstemmed Completeness and Consistency in Structural Domain Classifications
title_short Completeness and Consistency in Structural Domain Classifications
title_sort completeness and consistency in structural domain classifications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8223206/
https://www.ncbi.nlm.nih.gov/pubmed/34179613
http://dx.doi.org/10.1021/acsomega.1c00950
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