Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins

Autores
Grasso, Ernesto Javier; Sottile, Adolfo Emiliano; Coronel, Carlos Enrique
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
It is known that caltrin (calcium transport inhibitor) protein binds to sperm cells during ejaculation and inhibits extracellular Ca2+ uptake. Although the sequence and some biological features of mouse caltrin I and bovine caltrin are known, their physicochemical properties and tertiary structure are mainly unknown. We predicted the 3D structures of mouse caltrin I and bovine caltrin by molecular homology modeling and threading. Surface electrostatic potentials and electric fields were calculated using the Poisson–Boltzmann equation. Several different bioinformatics tools and available web servers were used to thoroughly analyze the physicochemical characteristics of both proteins, such as their Kyte and Doolittle hydropathy scores and helical wheel projections. The results presented in this work significantly aid further understanding of the molecular mechanisms of caltrin proteins modulating physiological processes associated with fertilization.
Fil: Grasso, Ernesto Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; Argentina
Fil: Sottile, Adolfo Emiliano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; Argentina
Fil: Coronel, Carlos Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; Argentina
Materia
HOMOLOGY MODELING
THREADING
MOUSE CALTRIN I
BOVINE CALTRIN
HYDROPATHY PLOTS
ELECTROSTATIC SURFACE POTENTIALS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/42601
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/42601
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteinsGrasso, Ernesto JavierSottile, Adolfo EmilianoCoronel, Carlos EnriqueHOMOLOGY MODELINGTHREADINGMOUSE CALTRIN IBOVINE CALTRINHYDROPATHY PLOTSELECTROSTATIC SURFACE POTENTIALShttps://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1It is known that caltrin (calcium transport inhibitor) protein binds to sperm cells during ejaculation and inhibits extracellular Ca2+ uptake. Although the sequence and some biological features of mouse caltrin I and bovine caltrin are known, their physicochemical properties and tertiary structure are mainly unknown. We predicted the 3D structures of mouse caltrin I and bovine caltrin by molecular homology modeling and threading. Surface electrostatic potentials and electric fields were calculated using the Poisson–Boltzmann equation. Several different bioinformatics tools and available web servers were used to thoroughly analyze the physicochemical characteristics of both proteins, such as their Kyte and Doolittle hydropathy scores and helical wheel projections. The results presented in this work significantly aid further understanding of the molecular mechanisms of caltrin proteins modulating physiological processes associated with fertilization.Fil: Grasso, Ernesto Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; ArgentinaFil: Sottile, Adolfo Emiliano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; ArgentinaFil: Coronel, Carlos Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; ArgentinaLibertas Academica Ltd.2016-10-30info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/42601Grasso, Ernesto Javier; Sottile, Adolfo Emiliano; Coronel, Carlos Enrique; Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins; Libertas Academica Ltd.; Bioinformatics and Biology Insights; 10; 30-10-2016; 225-2361177-93221177-9322CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://journals.sagepub.com/doi/10.4137/BBI.S38191info:eu-repo/semantics/altIdentifier/doi/10.4137/BBI.S38191info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:17:04Zoai:ri.conicet.gov.ar:11336/42601instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 11:17:05.196CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins
title Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins
spellingShingle Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins
Grasso, Ernesto Javier
HOMOLOGY MODELING
THREADING
MOUSE CALTRIN I
BOVINE CALTRIN
HYDROPATHY PLOTS
ELECTROSTATIC SURFACE POTENTIALS
title_short Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins
title_full Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins
title_fullStr Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins
title_full_unstemmed Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins
title_sort Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins
dc.creator.none.fl_str_mv Grasso, Ernesto Javier
Sottile, Adolfo Emiliano
Coronel, Carlos Enrique
author Grasso, Ernesto Javier
author_facet Grasso, Ernesto Javier
Sottile, Adolfo Emiliano
Coronel, Carlos Enrique
author_role author
author2 Sottile, Adolfo Emiliano
Coronel, Carlos Enrique
author2_role author
author
dc.subject.none.fl_str_mv HOMOLOGY MODELING
THREADING
MOUSE CALTRIN I
BOVINE CALTRIN
HYDROPATHY PLOTS
ELECTROSTATIC SURFACE POTENTIALS
topic HOMOLOGY MODELING
THREADING
MOUSE CALTRIN I
BOVINE CALTRIN
HYDROPATHY PLOTS
ELECTROSTATIC SURFACE POTENTIALS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv It is known that caltrin (calcium transport inhibitor) protein binds to sperm cells during ejaculation and inhibits extracellular Ca2+ uptake. Although the sequence and some biological features of mouse caltrin I and bovine caltrin are known, their physicochemical properties and tertiary structure are mainly unknown. We predicted the 3D structures of mouse caltrin I and bovine caltrin by molecular homology modeling and threading. Surface electrostatic potentials and electric fields were calculated using the Poisson–Boltzmann equation. Several different bioinformatics tools and available web servers were used to thoroughly analyze the physicochemical characteristics of both proteins, such as their Kyte and Doolittle hydropathy scores and helical wheel projections. The results presented in this work significantly aid further understanding of the molecular mechanisms of caltrin proteins modulating physiological processes associated with fertilization.
Fil: Grasso, Ernesto Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; Argentina
Fil: Sottile, Adolfo Emiliano. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; Argentina
Fil: Coronel, Carlos Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones Biológicas y Tecnológicas. Universidad Nacional de Córdoba. Facultad de Ciencias Exactas, Físicas y Naturales. Instituto de Investigaciones Biológicas y Tecnológicas; Argentina
description It is known that caltrin (calcium transport inhibitor) protein binds to sperm cells during ejaculation and inhibits extracellular Ca2+ uptake. Although the sequence and some biological features of mouse caltrin I and bovine caltrin are known, their physicochemical properties and tertiary structure are mainly unknown. We predicted the 3D structures of mouse caltrin I and bovine caltrin by molecular homology modeling and threading. Surface electrostatic potentials and electric fields were calculated using the Poisson–Boltzmann equation. Several different bioinformatics tools and available web servers were used to thoroughly analyze the physicochemical characteristics of both proteins, such as their Kyte and Doolittle hydropathy scores and helical wheel projections. The results presented in this work significantly aid further understanding of the molecular mechanisms of caltrin proteins modulating physiological processes associated with fertilization.
publishDate 2016
dc.date.none.fl_str_mv 2016-10-30
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/42601
Grasso, Ernesto Javier; Sottile, Adolfo Emiliano; Coronel, Carlos Enrique; Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins; Libertas Academica Ltd.; Bioinformatics and Biology Insights; 10; 30-10-2016; 225-236
1177-9322
1177-9322
CONICET Digital
CONICET
url http://hdl.handle.net/11336/42601
identifier_str_mv Grasso, Ernesto Javier; Sottile, Adolfo Emiliano; Coronel, Carlos Enrique; Structural prediction and in silico physicochemical characterization for mouse caltrin I and bovine caltrin proteins; Libertas Academica Ltd.; Bioinformatics and Biology Insights; 10; 30-10-2016; 225-236
1177-9322
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://journals.sagepub.com/doi/10.4137/BBI.S38191
info:eu-repo/semantics/altIdentifier/doi/10.4137/BBI.S38191
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Libertas Academica Ltd.
publisher.none.fl_str_mv Libertas Academica Ltd.
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.982451

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