SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale

Detalhes bibliográficos
Autor(a) principal: de Oliveira Neto, Mario [UNESP]
Data de Publicação: 2022
Outros Autores: de Freitas Fernandes, Adriano, Piiadov, Vassili, Craievich, Aldo Felix, de Araújo, Evandro Ares, Polikarpov, Igor
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1002/pro.4227
http://hdl.handle.net/11449/222891
Resumo: SAXSMoW (SAXS Molecular Weight) is an online platform widely used over the past few years for determination of molecular weights of proteins in dilute solutions. The scattering intensity retrieved from small-angle X-ray scattering (SAXS) raw data is the sole input to SAXSMoW for determination of molecular weights of proteins in liquid. The current updated SAXSMoW version 3.0 determines the linear dependence of the true protein volume on their apparent protein volume, based on SAXS curves calculated for 67,000 protein structures selected from the Protein Data Bank. SAXSMoW 3.0 was tested against 43 experimental SAXS scattering curves from proteins with known molecular weights. Our results demonstrate that most of the molecular weights determined for the nonglycosylated and also for the glycosylated proteins are in good agreement with their expected molecular weights. Additionally, the average discrepancies between the calculated molecular weights and their nominal values for glycosylated proteins are similar to those for nonglycosylated ones.
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spelling SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scaleSAXSMoW (SAXS Molecular Weight) is an online platform widely used over the past few years for determination of molecular weights of proteins in dilute solutions. The scattering intensity retrieved from small-angle X-ray scattering (SAXS) raw data is the sole input to SAXSMoW for determination of molecular weights of proteins in liquid. The current updated SAXSMoW version 3.0 determines the linear dependence of the true protein volume on their apparent protein volume, based on SAXS curves calculated for 67,000 protein structures selected from the Protein Data Bank. SAXSMoW 3.0 was tested against 43 experimental SAXS scattering curves from proteins with known molecular weights. Our results demonstrate that most of the molecular weights determined for the nonglycosylated and also for the glycosylated proteins are in good agreement with their expected molecular weights. Additionally, the average discrepancies between the calculated molecular weights and their nominal values for glycosylated proteins are similar to those for nonglycosylated ones.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Biophysics and Pharmacology Department Bioscience Institute Universidade Estadual Paulista, São PauloSao Carlos Institute of Physics University of Sao PauloDepartment of Applied Physics University of Sao Paulo, São PauloBrazilian Synchrotron Light Laboratory Brazilian Center for Research in Energy and Materials, São PauloBiophysics and Pharmacology Department Bioscience Institute Universidade Estadual Paulista, São PauloCNPq: 140739/2017-3FAPESP: 2015/13684-0FAPESP: 2018/22300-0CNPq: 303988/2016-9CNPq: 307490/2019-0CNPq: 310531/2019-5Universidade Estadual Paulista (UNESP)Universidade de São Paulo (USP)Brazilian Center for Research in Energy and Materialsde Oliveira Neto, Mario [UNESP]de Freitas Fernandes, AdrianoPiiadov, VassiliCraievich, Aldo Felixde Araújo, Evandro AresPolikarpov, Igor2022-04-28T19:47:17Z2022-04-28T19:47:17Z2022-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article251-258http://dx.doi.org/10.1002/pro.4227Protein Science, v. 31, n. 1, p. 251-258, 2022.1469-896X0961-8368http://hdl.handle.net/11449/22289110.1002/pro.42272-s2.0-85119419331Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengProtein Scienceinfo:eu-repo/semantics/openAccess2022-04-28T19:47:18Zoai:repositorio.unesp.br:11449/222891Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462022-04-28T19:47:18Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale
title SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale
spellingShingle SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale
de Oliveira Neto, Mario [UNESP]
title_short SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale
title_full SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale
title_fullStr SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale
title_full_unstemmed SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale
title_sort SAXSMoW 3.0: New advances in the determination of the molecular weight of proteins in dilute solutions from SAXS intensity data on a relative scale
author de Oliveira Neto, Mario [UNESP]
author_facet de Oliveira Neto, Mario [UNESP]
de Freitas Fernandes, Adriano
Piiadov, Vassili
Craievich, Aldo Felix
de Araújo, Evandro Ares
Polikarpov, Igor
author_role author
author2 de Freitas Fernandes, Adriano
Piiadov, Vassili
Craievich, Aldo Felix
de Araújo, Evandro Ares
Polikarpov, Igor
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (UNESP)
Universidade de São Paulo (USP)
Brazilian Center for Research in Energy and Materials
dc.contributor.author.fl_str_mv de Oliveira Neto, Mario [UNESP]
de Freitas Fernandes, Adriano
Piiadov, Vassili
Craievich, Aldo Felix
de Araújo, Evandro Ares
Polikarpov, Igor
description SAXSMoW (SAXS Molecular Weight) is an online platform widely used over the past few years for determination of molecular weights of proteins in dilute solutions. The scattering intensity retrieved from small-angle X-ray scattering (SAXS) raw data is the sole input to SAXSMoW for determination of molecular weights of proteins in liquid. The current updated SAXSMoW version 3.0 determines the linear dependence of the true protein volume on their apparent protein volume, based on SAXS curves calculated for 67,000 protein structures selected from the Protein Data Bank. SAXSMoW 3.0 was tested against 43 experimental SAXS scattering curves from proteins with known molecular weights. Our results demonstrate that most of the molecular weights determined for the nonglycosylated and also for the glycosylated proteins are in good agreement with their expected molecular weights. Additionally, the average discrepancies between the calculated molecular weights and their nominal values for glycosylated proteins are similar to those for nonglycosylated ones.
publishDate 2022
dc.date.none.fl_str_mv 2022-04-28T19:47:17Z
2022-04-28T19:47:17Z
2022-01-01
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1002/pro.4227
Protein Science, v. 31, n. 1, p. 251-258, 2022.
1469-896X
0961-8368
http://hdl.handle.net/11449/222891
10.1002/pro.4227
2-s2.0-85119419331
url http://dx.doi.org/10.1002/pro.4227
http://hdl.handle.net/11449/222891
identifier_str_mv Protein Science, v. 31, n. 1, p. 251-258, 2022.
1469-896X
0961-8368
10.1002/pro.4227
2-s2.0-85119419331
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Protein Science
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 251-258
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
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